#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 4.28 0.06 0.00 1.01 -1.26 -4.95 120.40 119.54 1xy3 s VAL 3 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 1xy3 s VAL 3 Cb 0.00 -3.58 -0.26 0.00 0.00 0.00 0.00 36.38 32.54 1xy3 s VAL 3 CO 0.00 -0.47 1.08 0.11 0.00 0.00 0.00 175.10 175.82 1xy3 h LYS 4 N 8.41 0.18 -2.85 2.72 1.79 -2.06 -3.47 116.57 121.29 1xy3 h LYS 4 Ca -0.23 -0.31 -0.09 0.00 -2.18 0.00 0.00 60.65 57.83 1xy3 h LYS 4 Cb 1.09 0.12 -0.19 0.00 -1.58 0.00 0.00 32.23 31.66 1xy3 h LYS 4 CO 0.74 1.10 -0.14 0.00 -1.08 0.00 0.00 179.45 180.08 1xy3 s ALA 5 N -2.66 -1.03 -0.28 3.86 0.00 -1.26 -5.17 121.76 115.22 1xy3 s ALA 5 Ca -0.04 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 1xy3 s ALA 5 Cb 0.08 0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.46 1xy3 s ALA 5 CO 0.86 -0.35 0.87 0.00 0.00 0.00 0.00 175.76 177.15 1xy3 s ALA 6 N -1.69 -2.06 0.06 0.00 0.00 -1.26 -5.17 121.76 111.65 1xy3 s ALA 6 Ca -0.10 2.20 -0.04 0.00 0.00 0.00 0.00 51.96 54.02 1xy3 s ALA 6 Cb -0.03 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1xy3 s ALA 6 CO 0.03 -0.34 0.04 1.03 0.00 0.00 0.00 175.76 176.53 1xy3 s ARG 7 N 1.16 0.69 -0.11 0.00 0.52 -1.26 -4.60 118.95 115.34 1xy3 s ARG 7 Ca -0.06 -1.14 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 1xy3 s ARG 7 Cb -0.04 0.25 0.12 0.00 0.52 0.00 0.00 34.95 35.80 1xy3 s ARG 7 CO -0.14 -0.16 0.99 1.52 0.02 0.00 0.00 175.30 177.53 1xy3 s TYR 8 N -3.90 -0.32 -1.96 -0.53 1.13 -1.09 -4.93 117.35 105.75 1xy3 s TYR 8 Ca 0.07 0.40 0.00 0.00 -1.41 0.00 0.00 57.07 56.13 1xy3 s TYR 8 Cb 0.07 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1xy3 s TYR 8 CO -0.10 -0.39 0.00 0.41 -2.51 0.00 0.00 175.55 172.96 1xy3 n GLY 9 N 0.28 -0.61 3.26 5.49 0.00 -1.25 0.18 105.19 112.54 1xy3 n GLY 9 Ca -0.08 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1xy3 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xy3 s LYS 10 N -0.78 3.21 0.27 1.61 2.47 -0.57 -4.89 119.74 121.06 1xy3 s LYS 10 Ca 0.00 -0.75 0.07 0.00 -1.56 0.00 0.00 55.97 53.74 1xy3 s LYS 10 Cb 0.00 -2.63 -0.03 0.00 -1.46 0.00 0.00 37.83 33.70 1xy3 s LYS 10 CO 0.00 0.00 0.20 0.34 0.16 0.00 0.00 175.35 176.05 1xy3 s ASP 11 N 0.85 5.35 -1.38 1.43 2.15 -1.26 -1.73 116.67 122.08 1xy3 s ASP 11 Ca -0.05 -0.36 -0.04 0.00 0.43 0.00 0.00 52.55 52.54 1xy3 s ASP 11 Cb -0.15 -1.23 0.02 0.00 -0.30 0.00 0.00 42.92 41.26 1xy3 s ASP 11 CO -0.01 -0.11 0.74 0.59 -0.17 0.00 0.00 175.17 176.21 1xy3 n ASN 12 N -1.20 -1.97 -4.46 -0.34 3.02 -1.22 -4.96 115.26 104.14 1xy3 n ASN 12 Ca -0.06 -0.83 -0.44 0.00 -0.03 0.00 0.00 54.58 53.22 1xy3 n ASN 12 Cb 0.59 -3.90 -0.07 0.00 -0.61 0.00 0.00 39.78 35.79 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 4.92 -0.09 2.41 1.01 -0.73 -4.88 120.40 119.43 1xy3 s VAL 13 Ca 0.17 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1xy3 s VAL 13 Cb -0.09 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1xy3 s VAL 13 CO 0.83 -0.72 1.04 -0.13 0.00 0.00 0.00 175.10 176.11 1xy3 s ARG 14 N 2.53 4.42 -0.06 2.72 0.52 -1.26 -0.70 118.95 127.12 1xy3 s ARG 14 Ca 0.15 1.44 0.03 0.00 -0.52 0.00 0.00 55.73 56.83 1xy3 s ARG 14 Cb -0.19 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 31.75 1xy3 s ARG 14 CO 0.13 -0.33 -0.14 0.08 0.02 0.00 0.00 175.30 175.06 1xy3 s VAL 15 N 2.01 1.24 0.01 3.52 1.01 0.21 -5.00 120.40 123.40 1xy3 s VAL 15 Ca 0.50 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1xy3 s VAL 15 Cb -0.19 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1xy3 s VAL 15 CO 0.19 0.37 -0.19 -0.47 0.00 0.00 0.00 175.10 175.00 1xy3 s TYR 16 N 0.43 1.71 -0.12 5.22 6.14 -1.26 -0.33 117.35 129.15 1xy3 s TYR 16 Ca -0.11 -0.34 -0.06 0.00 0.64 0.00 0.00 57.07 57.20 1xy3 s TYR 16 Cb -0.14 -1.07 0.05 0.00 0.42 0.00 0.00 41.96 41.22 1xy3 s TYR 16 CO 0.03 0.01 0.27 0.21 0.64 0.00 0.00 175.55 176.72 1xy3 s LYS 17 N -0.73 0.22 -0.05 4.97 2.20 0.33 -4.98 119.74 121.70 1xy3 s LYS 17 Ca 0.07 0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 56.27 1xy3 s LYS 17 Cb -0.08 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1xy3 s LYS 17 CO 0.00 -0.18 0.03 0.54 -0.36 0.00 0.00 175.35 175.38 1xy3 s VAL 18 N 1.47 4.44 -0.21 4.02 0.11 -1.26 -1.26 120.40 127.71 1xy3 s VAL 18 Ca -0.08 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1xy3 s VAL 18 Cb -0.10 -2.94 0.03 0.00 -1.53 0.00 0.00 36.38 31.84 1xy3 s VAL 18 CO -0.09 0.49 -0.15 -2.28 -3.33 0.00 0.00 175.10 169.74 1xy3 s HIS 19 N -1.01 2.95 -0.19 1.54 2.46 0.18 -4.97 115.29 116.24 1xy3 s HIS 19 Ca 0.17 -1.78 -0.05 0.00 0.47 0.00 0.00 55.06 53.87 1xy3 s HIS 19 Cb -0.12 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 1xy3 s HIS 19 CO 0.07 -0.81 0.00 0.15 -2.47 0.00 0.00 174.74 171.69 1xy3 s LYS 20 N 1.25 3.70 -0.35 2.88 1.02 -1.26 -0.86 119.74 126.11 1xy3 s LYS 20 Ca 0.01 -0.49 -0.20 0.00 0.02 0.00 0.00 55.97 55.31 1xy3 s LYS 20 Cb -0.15 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1xy3 s LYS 20 CO -0.10 0.12 0.61 0.34 -0.92 0.00 0.00 175.35 175.41 1xy3 s ASP 21 N 0.72 6.40 0.11 2.83 2.15 -1.00 -4.98 116.67 122.91 1xy3 s ASP 21 Ca 0.00 0.11 -0.29 0.00 0.43 0.00 0.00 52.55 52.80 1xy3 s ASP 21 Cb -0.14 -2.31 -0.09 0.00 -0.30 0.00 0.00 42.92 40.07 1xy3 s ASP 21 CO 0.02 -0.57 1.61 -0.33 -0.17 0.00 0.00 175.17 175.73 1xy3 h GLU 22 N 8.46 -0.57 0.00 4.34 3.07 -1.94 0.69 114.58 128.63 1xy3 h GLU 22 Ca -0.27 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1xy3 h GLU 22 Cb 1.11 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1xy3 h GLU 22 CO 0.82 -0.38 0.00 1.63 -1.40 0.00 0.00 179.01 179.68 1xy3 n LYS 23 N -5.43 0.00 0.07 2.33 4.01 -1.26 -3.70 118.16 114.18 1xy3 n LYS 23 Ca -0.07 0.64 -0.06 0.00 -0.51 0.00 0.00 58.31 58.31 1xy3 n LYS 23 Cb 0.34 -1.48 0.11 0.00 -0.51 0.00 0.00 35.03 33.49 1xy3 n LYS 23 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1xy3 h THR 24 N 0.00 1.37 0.00 -0.18 1.35 -2.00 -3.47 112.91 109.97 1xy3 h THR 24 Ca 0.00 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1xy3 h THR 24 Cb 0.00 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1xy3 h THR 24 CO 0.00 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1xy3 n GLY 25 N 0.24 0.78 3.66 5.82 0.00 0.24 -5.02 105.19 110.92 1xy3 n GLY 25 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.93 4.37 -0.04 1.61 1.01 -1.25 -4.69 120.40 118.49 1xy3 s VAL 26 Ca 0.00 1.65 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 1xy3 s VAL 26 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1xy3 s VAL 26 CO 0.00 -0.15 0.14 -1.10 0.00 0.00 0.00 175.10 173.99 1xy3 s GLN 27 N 3.44 3.33 -0.09 2.72 -0.21 0.04 -2.36 119.66 126.52 1xy3 s GLN 27 Ca 0.52 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 55.59 1xy3 s GLN 27 Cb -0.20 -3.05 0.02 0.00 1.00 0.00 0.00 33.01 30.78 1xy3 s GLN 27 CO 0.13 0.69 -0.12 0.99 -2.12 0.00 0.00 175.29 174.86 1xy3 s THR 28 N -1.21 1.20 0.17 -0.19 2.01 -0.04 -4.62 115.64 112.96 1xy3 s THR 28 Ca 0.23 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1xy3 s THR 28 Cb -0.12 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1xy3 s THR 28 CO 0.13 0.38 0.21 0.68 -0.69 0.00 0.00 174.62 175.34 1xy3 s VAL 29 N 1.08 4.88 -0.08 3.82 -7.23 -1.26 -0.65 120.40 120.95 1xy3 s VAL 29 Ca -0.06 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1xy3 s VAL 29 Cb -0.14 -3.52 0.04 0.00 0.56 0.00 0.00 36.38 33.32 1xy3 s VAL 29 CO -0.02 -0.12 0.11 -0.31 -0.31 0.00 0.00 175.10 174.45 1xy3 s TYR 30 N -1.78 -0.03 -0.04 2.82 2.02 -0.39 -4.91 117.35 115.03 1xy3 s TYR 30 Ca 0.33 0.32 0.07 0.00 -0.37 0.00 0.00 57.07 57.42 1xy3 s TYR 30 Cb -0.10 -0.42 -0.01 0.00 -0.40 0.00 0.00 41.96 41.03 1xy3 s TYR 30 CO 0.26 -0.28 -0.25 -2.00 -1.57 0.00 0.00 175.55 171.70 1xy3 s GLU 31 N 2.22 2.37 0.20 -0.62 2.12 -1.26 -0.51 118.70 123.22 1xy3 s GLU 31 Ca 0.04 -0.91 -0.12 0.00 0.36 0.00 0.00 54.97 54.34 1xy3 s GLU 31 Cb -0.13 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.15 1xy3 s GLU 31 CO -0.05 0.46 0.41 0.00 -0.54 0.00 0.00 175.26 175.54 1xy3 s MET 32 N -0.36 1.35 -0.14 4.30 0.23 0.55 -1.69 119.30 123.54 1xy3 s MET 32 Ca 0.02 -1.13 0.01 0.00 -1.03 0.00 0.00 55.69 53.56 1xy3 s MET 32 Cb -0.12 0.44 0.02 0.00 -1.53 0.00 0.00 34.83 33.64 1xy3 s MET 32 CO 0.02 -0.54 -0.16 0.99 -2.03 0.00 0.00 175.02 173.30 1xy3 s THR 33 N -3.96 1.64 -0.01 3.16 2.01 -0.43 -0.61 115.64 117.42 1xy3 s THR 33 Ca 0.17 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1xy3 s THR 33 Cb 0.01 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1xy3 s THR 33 CO 0.03 0.47 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 1xy3 s VAL 34 N 1.25 3.63 -0.05 3.82 1.01 0.12 -1.36 120.40 128.82 1xy3 s VAL 34 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1xy3 s VAL 34 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1xy3 s VAL 34 CO -0.07 0.45 -0.07 0.00 0.00 0.00 0.00 175.10 175.40 1xy3 s VAL 36 N 0.80 0.89 -0.08 0.00 1.01 -0.71 -0.43 120.40 121.89 1xy3 s VAL 36 Ca -0.13 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1xy3 s VAL 36 Cb -0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1xy3 s VAL 36 CO 0.02 0.22 -0.21 -0.76 0.00 0.00 0.00 175.10 174.37 1xy3 s LEU 37 N 1.74 2.29 0.23 3.92 1.43 -0.25 -1.51 118.68 126.53 1xy3 s LEU 37 Ca 0.03 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1xy3 s LEU 37 Cb -0.14 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1xy3 s LEU 37 CO -0.07 0.23 0.04 -0.76 0.23 0.00 0.00 176.35 176.02 1xy3 s LEU 38 N -0.08 3.37 0.02 1.79 1.43 0.13 -0.45 118.68 124.89 1xy3 s LEU 38 Ca -0.05 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1xy3 s LEU 38 Cb -0.14 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1xy3 s LEU 38 CO 0.04 0.03 -0.03 -1.61 0.23 0.00 0.00 176.35 175.01 1xy3 s GLU 39 N -3.44 0.27 0.00 1.70 2.02 -0.35 -2.67 118.70 116.24 1xy3 s GLU 39 Ca 0.30 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1xy3 s GLU 39 Cb -0.08 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.13 1xy3 s GLU 39 CO 0.20 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1xy3 n GLY 40 N 2.05 -0.53 2.80 -1.39 0.00 -1.26 -1.60 105.19 105.26 1xy3 n GLY 40 Ca -0.20 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 2.76 0.00 1.61 1.02 -0.30 -4.35 120.64 121.39 1xy3 n GLU 41 Ca 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 1xy3 n GLU 41 Cb 0.00 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.15 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 5.23 0.81 -0.37 -3.67 -5.35 -1.26 -4.77 119.36 109.99 1xy3 n ILE 42 Ca 0.52 -0.90 0.28 0.00 -0.27 0.00 0.00 62.75 62.38 1xy3 n ILE 42 Cb 0.39 0.60 0.57 0.00 -1.74 0.00 0.00 39.64 39.46 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 0.00 0.26 0.00 6.28 3.07 -1.99 -0.39 114.58 121.81 1xy3 h GLU 43 Ca 0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1xy3 h GLU 43 Cb 0.42 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1xy3 h GLU 43 CO 0.00 0.17 -0.16 1.79 -1.40 0.00 0.00 179.01 179.41 1xy3 h THR 44 N 0.27 1.12 0.00 1.13 1.35 -1.90 -2.14 112.91 112.73 1xy3 h THR 44 Ca 0.68 -0.56 -0.02 0.00 -0.55 0.00 0.00 66.41 65.96 1xy3 h THR 44 Cb 1.92 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1xy3 h THR 44 CO -0.34 0.16 -0.12 0.77 -0.25 0.00 0.00 175.52 175.74 1xy3 h SER 45 N 0.00 0.00 0.05 5.36 4.64 -1.14 0.65 113.55 123.11 1xy3 h SER 45 Ca -0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1xy3 h SER 45 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1xy3 h SER 45 CO 0.02 0.12 -1.38 1.88 -0.87 0.00 0.00 176.83 176.59 1xy3 h TYR 46 N 0.00 0.18 -0.01 4.77 -1.99 -1.57 -3.19 116.97 115.16 1xy3 h TYR 46 Ca -0.00 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.56 1xy3 h TYR 46 Cb 0.22 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1xy3 h TYR 46 CO 0.00 1.54 -0.14 1.79 -0.00 0.00 0.00 178.16 181.36 1xy3 h THR 47 N -0.65 1.53 -0.14 -2.88 1.35 -1.27 -3.38 112.91 107.46 1xy3 h THR 47 Ca -0.34 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 1xy3 h THR 47 Cb 1.53 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.58 1xy3 h THR 47 CO -0.09 0.47 0.00 0.29 -0.25 0.00 0.00 175.52 175.94 1xy3 n LYS 48 N -4.61 2.34 -3.42 4.72 5.02 0.22 -4.98 118.16 117.45 1xy3 n LYS 48 Ca -0.09 -2.48 -0.25 0.00 -2.02 0.00 0.00 58.31 53.47 1xy3 n LYS 48 Cb 0.42 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1xy3 n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xy3 n ALA 49 N -0.71 -1.10 -2.87 7.82 0.00 -0.87 -4.91 120.51 117.88 1xy3 n ALA 49 Ca 0.15 0.17 -0.44 0.00 0.00 0.00 0.00 53.44 53.33 1xy3 n ALA 49 Cb 0.66 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.54 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 -2.87 6.22 0.00 0.00 2.15 -1.11 -4.91 116.67 116.15 1xy3 s ASP 50 Ca 0.45 -0.99 0.31 0.00 0.43 0.00 0.00 52.55 52.75 1xy3 s ASP 50 Cb -0.22 -2.36 1.72 0.00 -0.30 0.00 0.00 42.92 41.76 1xy3 s ASP 50 CO 0.55 -1.17 2.13 0.59 -0.17 0.00 0.00 175.17 177.09 1xy3 n ASN 51 N 6.89 0.29 0.20 -0.34 3.02 -1.26 -3.72 115.26 120.34 1xy3 n ASN 51 Ca -0.05 -1.06 0.04 0.00 -0.03 0.00 0.00 54.58 53.48 1xy3 n ASN 51 Cb 0.45 -0.01 0.41 0.00 -0.61 0.00 0.00 39.78 40.02 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 0.45 0.00 0.30 6.41 4.64 -2.00 -2.41 113.55 120.94 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 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1xy3 h SER 52 CO 0.00 0.32 -0.18 1.33 -0.87 0.00 0.00 176.83 177.43 1xy3 n VAL 53 N -4.06 0.00 -3.13 0.95 0.24 -1.25 -4.85 118.33 106.22 1xy3 n VAL 53 Ca -0.02 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 1xy3 n VAL 53 Cb 0.37 0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.49 4.98 -0.51 1.34 1.09 -0.91 -4.91 121.20 119.79 1xy3 s ILE 54 Ca 0.27 0.99 -0.23 0.00 -1.10 0.00 0.00 60.65 60.58 1xy3 s ILE 54 Cb 0.20 -3.94 0.04 0.00 -1.06 0.00 0.00 42.46 37.69 1xy3 s ILE 54 CO 0.50 -0.03 0.84 -0.69 -0.10 0.00 0.00 174.94 175.46 1xy3 s VAL 55 N 2.51 4.55 0.11 2.92 1.01 -1.26 -4.99 120.40 125.25 1xy3 s VAL 55 Ca 0.25 0.19 -0.35 0.00 0.00 0.00 0.00 61.98 62.08 1xy3 s VAL 55 Cb -0.15 -4.43 -0.17 0.00 0.00 0.00 0.00 36.38 31.62 1xy3 s VAL 55 CO 0.10 -0.94 1.05 0.00 0.00 0.00 0.00 175.10 175.31 1xy3 n ALA 56 N 7.02 -2.09 -0.32 5.51 0.00 -1.26 -4.78 120.51 124.59 1xy3 n ALA 56 Ca 0.01 0.51 0.02 0.00 0.00 0.00 0.00 53.44 53.97 1xy3 n ALA 56 Cb 0.47 -1.88 0.15 0.00 0.00 0.00 0.00 19.45 18.20 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 2.58 1.04 -0.71 0.00 1.35 -1.94 0.22 112.91 115.46 1xy3 h THR 57 Ca -0.44 -0.35 0.13 0.00 -0.55 0.00 0.00 66.41 65.21 1xy3 h THR 57 Cb 1.39 -0.06 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 1xy3 h THR 57 CO 0.67 0.18 0.47 -0.78 -0.25 0.00 0.00 175.52 175.82 1xy3 h ASP 58 N 1.01 0.39 0.26 5.36 3.58 -1.95 0.43 116.42 125.50 1xy3 h ASP 58 Ca 0.39 0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.68 1xy3 h ASP 58 Cb 0.19 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1xy3 h ASP 58 CO -0.18 0.22 -0.70 0.28 -2.88 0.00 0.00 179.24 175.97 1xy3 h SER 59 N 0.42 0.46 -0.61 2.28 0.02 -0.94 -2.25 113.55 112.93 1xy3 h SER 59 Ca 0.34 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1xy3 h SER 59 Cb 0.73 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1xy3 h SER 59 CO -0.10 1.02 0.28 0.40 -1.14 0.00 0.00 176.83 177.28 1xy3 h ILE 60 N 0.27 1.22 0.16 3.27 2.04 0.83 -0.17 117.51 125.13 1xy3 h ILE 60 Ca -0.02 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1xy3 h ILE 60 Cb 1.27 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1xy3 h ILE 60 CO 0.12 0.26 -0.08 0.50 0.00 0.00 0.00 178.15 178.96 1xy3 h LYS 61 N 0.91 -0.21 -0.50 2.37 3.64 -0.82 -2.12 116.57 119.83 1xy3 h LYS 61 Ca 0.22 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 1xy3 h LYS 61 Cb 0.14 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 1xy3 h LYS 61 CO -0.02 -0.02 0.05 -0.91 -2.27 0.00 0.00 179.45 176.27 1xy3 h ASN 62 N -0.36 -0.12 -0.66 4.20 2.35 -0.88 -0.87 115.58 119.24 1xy3 h ASN 62 Ca -0.02 0.11 0.10 0.00 -0.55 0.00 0.00 56.30 55.93 1xy3 h ASN 62 Cb 0.28 0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 1xy3 h ASN 62 CO 0.04 -0.03 0.29 0.74 -1.65 0.00 0.00 177.43 176.81 1xy3 h THR 63 N 0.17 0.80 0.01 2.81 2.02 -0.84 0.43 112.91 118.31 1xy3 h THR 63 Ca 0.26 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1xy3 h THR 63 Cb 0.37 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1xy3 h THR 63 CO -0.38 0.09 -0.23 0.40 0.37 0.00 0.00 175.52 175.77 1xy3 h ILE 64 N 0.50 0.47 -0.85 3.11 2.04 -0.48 0.61 117.51 122.91 1xy3 h ILE 64 Ca 0.33 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.22 1xy3 h ILE 64 Cb 0.39 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1xy3 h ILE 64 CO -0.30 0.00 0.56 1.88 0.00 0.00 0.00 178.15 180.29 1xy3 h TYR 65 N -0.37 1.05 -0.21 1.37 0.05 -0.89 -0.70 116.97 117.27 1xy3 h TYR 65 Ca 0.06 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1xy3 h TYR 65 Cb 0.44 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1xy3 h TYR 65 CO -0.26 0.62 -0.04 0.82 -1.05 0.00 0.00 178.16 178.25 1xy3 h ILE 66 N 1.10 1.28 -0.79 -2.88 2.04 -0.29 -2.27 117.51 115.70 1xy3 h ILE 66 Ca 0.33 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1xy3 h ILE 66 Cb -0.04 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1xy3 h ILE 66 CO -0.10 0.30 0.40 0.74 0.00 0.00 0.00 178.15 179.49 1xy3 h THR 67 N 0.12 1.24 -0.02 -0.27 2.02 0.48 -2.20 112.91 114.29 1xy3 h THR 67 Ca 0.05 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1xy3 h THR 67 Cb 0.47 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1xy3 h THR 67 CO 0.02 0.29 -0.30 0.00 0.37 0.00 0.00 175.52 175.90 1xy3 h ALA 68 N 1.21 1.48 -0.13 6.16 0.00 -1.09 -1.73 119.26 125.15 1xy3 h ALA 68 Ca 0.27 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1xy3 h ALA 68 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xy3 h ALA 68 CO -0.04 0.39 -0.69 -0.22 0.00 0.00 0.00 179.25 178.69 1xy3 h LYS 69 N 0.03 0.56 -0.01 0.00 1.63 -0.80 -3.27 116.57 114.71 1xy3 h LYS 69 Ca 0.00 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1xy3 h LYS 69 Cb 0.54 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1xy3 h LYS 69 CO 0.04 1.05 -0.44 1.04 -3.45 0.00 0.00 179.45 177.69 1xy3 n GLN 70 N -3.90 0.81 -4.40 1.90 6.02 -0.97 -4.97 117.38 111.87 1xy3 n GLN 70 Ca -0.05 -0.59 -0.20 0.00 -0.01 0.00 0.00 57.00 56.16 1xy3 n GLN 70 Cb 0.69 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.36 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 -2.59 1.91 0.05 1.08 0.01 -0.66 -5.10 114.94 109.63 1xy3 s ASN 71 Ca 0.19 -1.44 -0.27 0.00 -0.71 0.00 0.00 52.86 50.63 1xy3 s ASN 71 Cb 0.18 0.14 -0.05 0.00 0.41 0.00 0.00 41.25 41.94 1xy3 s ASN 71 CO 0.59 -0.73 0.84 -2.84 -1.51 0.00 0.00 177.10 173.45 1xy3 s PRO 72 N -3.91 4.56 0.00 -0.60 0.02 -1.26 -4.74 135.00 129.07 1xy3 s PRO 72 Ca 0.35 1.20 0.28 0.00 0.02 0.00 0.00 61.00 62.85 1xy3 s PRO 72 Cb 0.07 -3.39 1.07 0.00 0.02 0.00 0.00 34.50 32.27 1xy3 s PRO 72 CO 0.15 0.21 1.76 1.33 -0.33 0.00 0.00 177.00 180.11 1xy3 n VAL 73 N 3.01 0.00 -4.40 3.83 0.24 -1.26 -4.33 118.33 115.41 1xy3 n VAL 73 Ca 0.00 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.34 61.97 1xy3 n VAL 73 Cb 0.50 0.20 -0.14 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.32 0.95 0.78 3.34 -1.32 -1.26 -3.56 115.64 112.24 1xy3 s THR 74 Ca 0.31 -0.72 -0.11 0.00 -1.21 0.00 0.00 61.69 59.96 1xy3 s THR 74 Cb 0.20 -0.83 0.06 0.00 -1.51 0.00 0.00 72.50 70.41 1xy3 s THR 74 CO 0.44 0.11 1.08 -2.16 -2.21 0.00 0.00 174.62 171.89 1xy3 s PRO 75 N -0.69 2.25 0.46 7.08 0.04 -1.26 -4.87 135.00 138.01 1xy3 s PRO 75 Ca 0.02 0.96 0.15 0.00 0.04 0.00 0.00 61.00 62.17 1xy3 s PRO 75 Cb -0.06 -1.91 1.11 0.00 0.04 0.00 0.00 34.50 33.68 1xy3 s PRO 75 CO 0.00 -1.58 2.02 -1.00 0.04 0.00 0.00 177.00 176.48 1xy3 h PRO 76 N -1.08 0.28 -0.94 0.56 0.13 -1.95 -1.78 132.00 127.22 1xy3 h PRO 76 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xy3 h PRO 76 Cb 1.24 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1xy3 h PRO 76 CO 0.55 0.19 0.59 0.93 -0.23 0.00 0.00 178.00 180.02 1xy3 h GLU 77 N 0.29 1.26 -0.01 0.86 3.07 -1.95 -0.48 114.58 117.62 1xy3 h GLU 77 Ca 0.20 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1xy3 h GLU 77 Cb 0.44 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1xy3 h GLU 77 CO -0.04 0.86 -0.02 1.25 -1.40 0.00 0.00 179.01 179.65 1xy3 h LEU 78 N 1.29 0.03 -1.31 1.33 5.85 -1.70 -2.41 115.31 118.39 1xy3 h LEU 78 Ca 0.34 -0.66 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1xy3 h LEU 78 Cb -0.10 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1xy3 h LEU 78 CO -0.07 0.69 0.50 0.15 -0.34 0.00 0.00 178.44 179.37 1xy3 h PHE 79 N -0.63 0.85 -0.29 1.25 3.57 -1.36 0.77 116.94 121.11 1xy3 h PHE 79 Ca -0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 1xy3 h PHE 79 Cb 0.69 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1xy3 h PHE 79 CO 0.16 0.47 -0.42 0.78 -2.23 0.00 0.00 178.31 177.06 1xy3 h GLY 80 N 0.86 0.78 1.03 2.40 0.00 -1.12 -1.74 103.07 105.26 1xy3 h GLY 80 Ca 0.32 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1xy3 h GLY 80 CO -0.10 0.72 -0.03 1.76 0.00 0.00 0.00 176.54 178.89 1xy3 h SER 81 N 0.58 0.90 -0.18 0.19 0.02 -0.69 -1.75 113.55 112.62 1xy3 h SER 81 Ca 0.04 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1xy3 h SER 81 Cb 0.97 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1xy3 h SER 81 CO 0.09 1.01 0.09 0.40 -1.14 0.00 0.00 176.83 177.27 1xy3 h ILE 82 N 0.77 1.13 -0.13 3.27 2.04 -0.81 -2.14 117.51 121.64 1xy3 h ILE 82 Ca 0.14 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1xy3 h ILE 82 Cb 0.56 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1xy3 h ILE 82 CO 0.03 0.12 0.08 0.25 0.00 0.00 0.00 178.15 178.63 1xy3 h LEU 83 N 0.17 0.16 -0.84 1.44 5.85 -1.20 -2.09 115.31 118.79 1xy3 h LEU 83 Ca 0.06 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1xy3 h LEU 83 Cb 0.11 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1xy3 h LEU 83 CO -0.01 0.17 -0.08 1.23 -0.34 0.00 0.00 178.44 179.41 1xy3 h GLY 84 N 0.13 0.85 1.42 3.75 0.00 -1.33 -2.77 103.07 105.12 1xy3 h GLY 84 Ca 0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1xy3 h GLY 84 CO -0.01 0.57 0.09 -0.84 0.00 0.00 0.00 176.54 176.35 1xy3 h THR 85 N 0.72 1.22 0.34 4.70 2.02 -1.26 -3.10 112.91 117.55 1xy3 h THR 85 Ca 0.13 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 1xy3 h THR 85 Cb 0.55 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1xy3 h THR 85 CO 0.03 0.29 -0.35 -0.74 0.37 0.00 0.00 175.52 175.12 1xy3 h HIS 86 N 0.70 -0.95 -0.33 3.16 6.17 -1.08 -2.64 115.15 120.19 1xy3 h HIS 86 Ca 0.15 0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.31 1xy3 h HIS 86 Cb 0.30 0.37 -0.07 0.00 2.52 0.00 0.00 27.41 30.53 1xy3 h HIS 86 CO 0.02 -0.49 -0.13 0.74 0.71 0.00 0.00 177.93 178.78 1xy3 h PHE 87 N -0.72 -0.30 0.00 5.26 0.04 -1.53 0.16 116.94 119.86 1xy3 h PHE 87 Ca -0.02 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1xy3 h PHE 87 Cb 0.65 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1xy3 h PHE 87 CO -0.21 -0.20 -0.25 -0.84 -0.60 0.00 0.00 178.31 176.22 1xy3 h ILE 88 N -0.06 1.02 0.04 -0.55 3.07 -1.54 -1.76 117.51 117.73 1xy3 h ILE 88 Ca 0.17 -0.90 -0.28 0.00 1.55 0.00 0.00 64.86 65.40 1xy3 h ILE 88 Cb 0.31 1.51 -0.03 0.00 -0.27 0.00 0.00 36.82 38.34 1xy3 h ILE 88 CO -0.37 0.24 -1.47 -0.33 -1.05 0.00 0.00 178.15 175.17 1xy3 h GLU 89 N 0.00 0.08 0.00 0.16 5.08 -1.02 -3.36 114.58 115.53 1xy3 h GLU 89 Ca -0.00 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1xy3 h GLU 89 Cb 0.49 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1xy3 h GLU 89 CO 0.03 0.85 -0.79 -0.22 -1.00 0.00 0.00 179.01 177.88 1xy3 h LYS 90 N 0.02 0.00 -4.67 2.33 1.63 -0.57 -3.43 116.57 111.87 1xy3 h LYS 90 Ca -0.20 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.96 1xy3 h LYS 90 Cb 1.95 0.00 -0.37 0.00 -0.60 0.00 0.00 32.23 33.21 1xy3 h LYS 90 CO 0.12 0.37 -0.81 0.71 -3.45 0.00 0.00 179.45 176.38 1xy3 s TYR 91 N -3.00 2.63 0.29 1.91 2.02 -0.67 -5.01 117.35 115.52 1xy3 s TYR 91 Ca 0.02 -1.76 0.01 0.00 -0.37 0.00 0.00 57.07 54.97 1xy3 s TYR 91 Cb 0.08 -1.73 0.54 0.00 -0.40 0.00 0.00 41.96 40.46 1xy3 s TYR 91 CO 0.76 -0.78 1.85 -0.91 -1.57 0.00 0.00 175.55 174.90 1xy3 h ASN 92 N 7.93 0.93 0.33 2.29 2.35 -1.85 -2.24 115.58 125.33 1xy3 h ASN 92 Ca -0.27 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1xy3 h ASN 92 Cb 1.09 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1xy3 h ASN 92 CO 0.49 0.52 -0.02 0.00 -1.65 0.00 0.00 177.43 176.76 1xy3 n HIS 93 N -4.59 0.00 -3.46 1.19 1.44 -1.26 -4.69 115.22 103.85 1xy3 n HIS 93 Ca 0.18 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.48 1xy3 n HIS 93 Cb 0.32 -0.16 -0.10 0.00 0.12 0.00 0.00 29.99 30.17 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 -2.35 5.22 -0.41 0.61 -1.09 -0.84 -1.15 121.20 121.19 1xy3 s ILE 94 Ca 0.35 -0.05 0.16 0.00 -2.23 0.00 0.00 60.65 58.88 1xy3 s ILE 94 Cb 0.21 -3.77 -0.21 0.00 -1.58 0.00 0.00 42.46 37.11 1xy3 s ILE 94 CO 0.43 -0.05 0.52 1.41 -1.23 0.00 0.00 174.94 176.02 1xy3 n HIS 95 N 5.26 0.00 -3.74 3.97 8.25 -0.63 -4.45 115.22 123.89 1xy3 n HIS 95 Ca -0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 1xy3 n HIS 95 Cb 0.50 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.76 -0.61 -0.11 -1.41 0.00 -1.03 0.14 121.76 115.98 1xy3 s ALA 96 Ca 0.01 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1xy3 s ALA 96 Cb 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1xy3 s ALA 96 CO 0.65 -0.18 -0.24 0.00 0.00 0.00 0.00 175.76 175.99 1xy3 s ALA 97 N 0.98 2.18 -0.29 0.00 0.00 -0.12 -1.21 121.76 123.30 1xy3 s ALA 97 Ca -0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1xy3 s ALA 97 Cb -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1xy3 s ALA 97 CO -0.07 0.23 0.02 -1.01 0.00 0.00 0.00 175.76 174.93 1xy3 s HIS 98 N 0.43 3.19 -0.21 0.00 3.76 0.41 -0.93 115.29 121.94 1xy3 s HIS 98 Ca -0.17 -1.55 -0.03 0.00 -0.15 0.00 0.00 55.06 53.16 1xy3 s HIS 98 Cb -0.18 -2.15 -0.01 0.00 1.11 0.00 0.00 32.58 31.36 1xy3 s HIS 98 CO 0.07 -0.73 -0.06 0.08 -0.85 0.00 0.00 174.74 173.24 1xy3 s VAL 99 N 1.34 3.24 -0.20 -0.90 1.01 0.37 -1.09 120.40 124.18 1xy3 s VAL 99 Ca -0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1xy3 s VAL 99 Cb -0.18 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1xy3 s VAL 99 CO -0.01 0.44 -0.15 0.21 0.00 0.00 0.00 175.10 175.60 1xy3 s ASN 100 N 1.32 3.56 -0.08 3.32 2.47 0.42 -0.51 114.94 125.44 1xy3 s ASN 100 Ca 0.04 -0.64 0.05 0.00 0.42 0.00 0.00 52.86 52.73 1xy3 s ASN 100 Cb -0.14 -1.56 -0.00 0.00 -1.45 0.00 0.00 41.25 38.09 1xy3 s ASN 100 CO -0.03 -0.02 -0.24 -0.63 -3.72 0.00 0.00 177.10 172.45 1xy3 s ILE 101 N 1.33 2.04 -0.19 -5.21 1.01 -0.69 -0.73 121.20 118.76 1xy3 s ILE 101 Ca 0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1xy3 s ILE 101 Cb -0.14 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 1xy3 s ILE 101 CO -0.10 0.56 -0.10 -0.69 0.00 0.00 0.00 174.94 174.62 1xy3 s VAL 102 N 0.12 2.99 -0.17 2.92 1.01 -0.46 -2.03 120.40 124.78 1xy3 s VAL 102 Ca -0.12 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1xy3 s VAL 102 Cb -0.16 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1xy3 s VAL 102 CO 0.07 0.47 0.26 0.00 0.00 0.00 0.00 175.10 175.90 1xy3 s HIS 104 N 0.41 3.50 0.02 0.00 3.76 -0.68 -2.89 115.29 119.39 1xy3 s HIS 104 Ca 0.15 0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 55.19 1xy3 s HIS 104 Cb -0.13 -1.96 -0.06 0.00 1.11 0.00 0.00 32.58 31.55 1xy3 s HIS 104 CO 0.03 0.61 1.34 1.03 -0.85 0.00 0.00 174.74 176.90 1xy3 s ARG 105 N -0.74 4.32 -0.48 1.40 0.52 -1.26 -4.45 118.95 118.26 1xy3 s ARG 105 Ca 0.13 1.91 0.06 0.00 -0.52 0.00 0.00 55.73 57.31 1xy3 s ARG 105 Cb -0.12 -3.49 0.21 0.00 0.52 0.00 0.00 34.95 32.07 1xy3 s ARG 105 CO 0.03 -0.49 0.49 0.91 0.02 0.00 0.00 175.30 176.26 1xy3 n TRP 106 N 4.94 0.56 -2.46 -0.53 5.03 -1.26 -4.31 117.44 119.39 1xy3 n TRP 106 Ca 0.12 -3.67 -0.41 0.00 3.03 0.00 0.00 57.50 56.57 1xy3 n TRP 106 Cb 0.44 -0.21 -0.03 0.00 -1.03 0.00 0.00 31.31 30.48 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 -0.99 3.92 0.29 -0.99 2.01 -0.24 -4.67 115.64 114.98 1xy3 s THR 107 Ca 0.34 1.53 -0.30 0.00 0.31 0.00 0.00 61.69 63.56 1xy3 s THR 107 Cb 0.09 -3.98 -0.12 0.00 0.01 0.00 0.00 72.50 68.51 1xy3 s THR 107 CO -0.13 0.20 1.55 -1.14 -0.69 0.00 0.00 174.62 174.41 1xy3 n ARG 108 N 3.04 2.59 -2.35 4.92 0.63 -1.26 -0.23 116.66 124.00 1xy3 n ARG 108 Ca 0.05 0.92 -0.34 0.00 -0.92 0.00 0.00 57.85 57.56 1xy3 n ARG 108 Cb 0.46 -2.67 -0.01 0.00 0.45 0.00 0.00 32.46 30.69 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 -0.66 3.51 -0.37 -0.14 -1.94 -0.27 -4.83 119.30 114.60 1xy3 s MET 109 Ca 0.63 1.49 0.03 0.00 -1.71 0.00 0.00 55.69 56.14 1xy3 s MET 109 Cb -0.52 -2.04 0.10 0.00 2.01 0.00 0.00 34.83 34.39 1xy3 s MET 109 CO 0.50 -0.70 0.09 -0.51 -0.01 0.00 0.00 175.02 174.40 1xy3 s ASP 110 N -1.92 4.79 -0.32 3.03 1.01 -1.26 -1.29 116.67 120.72 1xy3 s ASP 110 Ca 0.70 -2.23 -0.10 0.00 0.71 0.00 0.00 52.55 51.64 1xy3 s ASP 110 Cb -0.21 -1.66 -0.00 0.00 1.01 0.00 0.00 42.92 42.07 1xy3 s ASP 110 CO 0.25 -0.39 0.15 -0.63 0.21 0.00 0.00 175.17 174.77 1xy3 s ILE 111 N 0.81 4.55 -0.97 0.77 -1.09 -0.57 -4.45 121.20 120.26 1xy3 s ILE 111 Ca 0.11 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 1xy3 s ILE 111 Cb -0.20 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1xy3 s ILE 111 CO -0.07 0.03 0.00 0.47 -1.23 0.00 0.00 174.94 174.15 1xy3 n ASP 112 N 4.97 -3.82 0.00 3.58 8.00 -1.26 -2.73 116.55 125.29 1xy3 n ASP 112 Ca -0.14 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1xy3 n ASP 112 Cb 0.49 -2.62 0.00 0.00 -0.02 0.00 0.00 41.12 38.97 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 -1.40 0.43 2.99 0.44 0.00 -1.26 -5.04 105.19 101.34 1xy3 n GLY 113 Ca -0.11 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.55 0.51 0.15 1.61 -2.85 -1.10 -5.12 119.74 111.39 1xy3 s LYS 114 Ca 0.00 -0.30 -0.31 0.00 -1.00 0.00 0.00 55.97 54.36 1xy3 s LYS 114 Cb 0.00 -0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 35.22 1xy3 s LYS 114 CO 0.00 0.12 1.38 -2.14 0.10 0.00 0.00 175.35 174.81 1xy3 s PRO 115 N -0.35 4.33 0.18 1.78 0.02 -1.26 -1.51 135.00 138.19 1xy3 s PRO 115 Ca 0.01 2.09 -0.25 0.00 0.02 0.00 0.00 61.00 62.87 1xy3 s PRO 115 Cb -0.03 -3.22 -0.08 0.00 0.02 0.00 0.00 34.50 31.18 1xy3 s PRO 115 CO -0.00 -0.39 0.78 -1.58 -0.33 0.00 0.00 177.00 175.48 1xy3 s HIS 116 N 0.78 3.88 0.33 6.54 2.46 -0.41 -4.93 115.29 123.93 1xy3 s HIS 116 Ca 0.62 1.63 0.09 0.00 0.47 0.00 0.00 55.06 57.87 1xy3 s HIS 116 Cb -0.37 -2.77 0.56 0.00 -0.13 0.00 0.00 32.58 29.87 1xy3 s HIS 116 CO 0.33 0.48 1.75 -1.00 -2.47 0.00 0.00 174.74 173.83 1xy3 h PRO 117 N 4.16 0.12 -0.10 2.88 0.13 -1.92 -3.38 132.00 133.90 1xy3 h PRO 117 Ca -0.47 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.42 1xy3 h PRO 117 Cb 1.20 -0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.98 1xy3 h PRO 117 CO 0.66 0.51 -0.93 -2.39 -0.23 0.00 0.00 178.00 175.62 1xy3 n HIS 118 N -4.04 0.20 -4.88 1.56 1.44 -1.26 -0.78 115.22 107.46 1xy3 n HIS 118 Ca -0.02 -0.95 -0.27 0.00 -2.01 0.00 0.00 57.72 54.47 1xy3 n HIS 118 Cb 0.45 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 30.39 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 -2.27 2.32 0.24 4.39 0.01 -1.26 -5.07 113.70 112.07 1xy3 s SER 119 Ca 0.27 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.17 1xy3 s SER 119 Cb 0.33 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.61 1xy3 s SER 119 CO -0.12 0.12 0.00 -0.36 0.41 0.00 0.00 173.24 173.30 1xy3 s PHE 120 N 0.31 1.63 -0.06 2.43 0.40 -1.26 -1.11 117.98 120.32 1xy3 s PHE 120 Ca -0.11 -0.92 -0.05 0.00 -0.60 0.00 0.00 56.93 55.25 1xy3 s PHE 120 Cb -0.15 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.44 1xy3 s PHE 120 CO 0.05 -0.02 0.15 -1.50 0.70 0.00 0.00 175.22 174.60 1xy3 s ILE 121 N -3.39 -0.01 -1.09 0.64 2.07 0.68 -4.81 121.20 115.30 1xy3 s ILE 121 Ca 0.30 0.02 -0.21 0.00 -1.41 0.00 0.00 60.65 59.35 1xy3 s ILE 121 Cb 0.06 -0.22 0.07 0.00 0.13 0.00 0.00 42.46 42.50 1xy3 s ILE 121 CO 0.10 0.01 1.48 -0.60 -1.91 0.00 0.00 174.94 174.02 1xy3 s ARG 122 N 0.20 3.71 0.00 3.50 6.06 -1.26 -1.08 118.95 130.09 1xy3 s ARG 122 Ca -0.01 -1.49 0.22 0.00 -2.50 0.00 0.00 55.73 51.95 1xy3 s ARG 122 Cb -0.02 -5.33 1.23 0.00 0.06 0.00 0.00 34.95 30.88 1xy3 s ARG 122 CO -0.01 -2.15 1.69 -0.40 -2.50 0.00 0.00 175.30 171.94 1xy3 n ASP 123 N 8.32 0.00 -3.61 -2.12 5.75 -1.26 -4.85 116.55 118.78 1xy3 n ASP 123 Ca 0.36 -0.43 -0.06 0.00 -0.01 0.00 0.00 54.79 54.65 1xy3 n ASP 123 Cb 0.49 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.42 1xy3 n ASP 123 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xy3 s SER 124 N -2.23 -0.21 0.00 -1.12 0.15 -1.26 -4.99 113.70 104.04 1xy3 s SER 124 Ca 0.28 0.21 0.12 0.00 0.70 0.00 0.00 55.95 57.26 1xy3 s SER 124 Cb 0.15 0.17 0.42 0.00 -1.71 0.00 0.00 66.02 65.05 1xy3 s SER 124 CO 0.28 -0.20 1.32 1.21 1.20 0.00 0.00 173.24 177.05 1xy3 n GLU 125 N 0.56 1.66 -2.37 5.44 4.07 -1.26 -4.58 120.64 124.15 1xy3 n GLU 125 Ca -0.05 -1.01 -0.38 0.00 -0.06 0.00 0.00 57.16 55.66 1xy3 n GLU 125 Cb 0.58 -1.27 -0.03 0.00 -0.06 0.00 0.00 31.44 30.66 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 -1.67 4.16 0.31 5.31 2.12 -1.26 -4.80 118.70 122.87 1xy3 s GLU 126 Ca 0.23 1.76 0.10 0.00 0.36 0.00 0.00 54.97 57.42 1xy3 s GLU 126 Cb 0.12 -2.71 -0.06 0.00 0.26 0.00 0.00 34.13 31.74 1xy3 s GLU 126 CO 0.17 -0.21 -0.13 0.15 -0.54 0.00 0.00 175.26 174.70 1xy3 s LYS 127 N -2.24 1.71 -0.19 4.30 -0.14 -0.15 -4.38 119.74 118.66 1xy3 s LYS 127 Ca 0.56 -1.84 0.01 0.00 -1.36 0.00 0.00 55.97 53.33 1xy3 s LYS 127 Cb -0.29 -1.64 0.04 0.00 -1.68 0.00 0.00 37.83 34.26 1xy3 s LYS 127 CO 0.36 0.20 -0.10 0.50 -0.76 0.00 0.00 175.35 175.55 1xy3 s ARG 128 N -3.59 2.01 0.42 1.68 3.52 -1.14 -2.54 118.95 119.32 1xy3 s ARG 128 Ca 0.31 -0.80 0.07 0.00 -0.13 0.00 0.00 55.73 55.18 1xy3 s ARG 128 Cb -0.00 -2.36 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 1xy3 s ARG 128 CO 0.15 -0.41 0.17 -0.80 -0.81 0.00 0.00 175.30 173.60 1xy3 s ASN 129 N 1.42 4.38 -0.24 -2.12 -0.87 0.05 -0.72 114.94 116.84 1xy3 s ASN 129 Ca -0.01 -1.13 -0.16 0.00 -1.57 0.00 0.00 52.86 49.99 1xy3 s ASN 129 Cb -0.16 -0.39 0.07 0.00 -0.02 0.00 0.00 41.25 40.75 1xy3 s ASN 129 CO -0.08 -0.58 0.60 0.68 -2.57 0.00 0.00 177.10 175.15 1xy3 s VAL 130 N -2.63 -0.01 -0.30 1.60 -7.23 -0.86 -2.36 120.40 108.61 1xy3 s VAL 130 Ca 0.39 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.61 1xy3 s VAL 130 Cb 0.04 -0.87 0.08 0.00 0.56 0.00 0.00 36.38 36.20 1xy3 s VAL 130 CO 0.21 0.01 -0.00 -1.58 -0.31 0.00 0.00 175.10 173.43 1xy3 s GLN 131 N 1.17 1.67 -0.16 4.82 0.74 -0.56 -1.71 119.66 125.62 1xy3 s GLN 131 Ca -0.07 -1.58 -0.08 0.00 0.05 0.00 0.00 55.36 53.69 1xy3 s GLN 131 Cb -0.06 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 1xy3 s GLN 131 CO -0.12 -0.80 0.09 0.08 -0.55 0.00 0.00 175.29 174.00 1xy3 s VAL 132 N 1.06 5.10 -0.22 1.34 1.01 0.33 -1.66 120.40 127.36 1xy3 s VAL 132 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1xy3 s VAL 132 Cb -0.19 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1xy3 s VAL 132 CO -0.08 0.51 -0.15 -1.81 0.00 0.00 0.00 175.10 173.56 1xy3 s ASP 133 N -0.08 3.76 -0.39 3.32 1.01 0.81 -0.48 116.67 124.62 1xy3 s ASP 133 Ca 0.08 -1.01 -0.06 0.00 0.71 0.00 0.00 52.55 52.27 1xy3 s ASP 133 Cb -0.12 -1.50 0.08 0.00 1.01 0.00 0.00 42.92 42.39 1xy3 s ASP 133 CO 0.01 -0.10 0.19 -0.69 0.21 0.00 0.00 175.17 174.79 1xy3 s VAL 134 N 1.21 3.75 -0.13 -1.27 1.01 -0.11 -0.44 120.40 124.43 1xy3 s VAL 134 Ca -0.02 -1.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 1xy3 s VAL 134 Cb -0.16 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1xy3 s VAL 134 CO -0.09 -0.45 -0.05 -0.69 0.00 0.00 0.00 175.10 173.82 1xy3 s VAL 135 N 1.32 3.85 -0.18 2.92 1.01 -0.97 -0.94 120.40 127.42 1xy3 s VAL 135 Ca 0.03 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 1xy3 s VAL 135 Cb -0.22 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 1xy3 s VAL 135 CO 0.00 0.53 2.13 1.21 0.00 0.00 0.00 175.10 178.97 1xy3 n GLU 136 N 3.06 2.01 0.00 2.72 2.13 0.12 -1.37 120.64 129.31 1xy3 n GLU 136 Ca -0.18 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1xy3 n GLU 136 Cb 0.53 -2.98 0.00 0.00 0.27 0.00 0.00 31.44 29.25 1xy3 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xy3 n GLY 137 N 5.49 2.80 0.04 8.31 0.00 -1.26 -4.83 105.19 115.74 1xy3 n GLY 137 Ca 0.29 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.42 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 0.12 0.00 1.61 5.02 -0.47 -5.09 118.16 117.35 1xy3 n LYS 138 Ca 0.00 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1xy3 n LYS 138 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1xy3 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 139 N 1.49 -1.71 3.21 0.72 0.00 -1.02 -4.89 105.19 102.98 1xy3 n GLY 139 Ca 0.05 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 2.58 -0.25 -0.61 1.01 -0.01 -2.29 121.20 121.63 1xy3 s ILE 140 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1xy3 s ILE 140 Cb 0.00 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1xy3 s ILE 140 CO 0.00 0.50 0.14 -1.81 0.00 0.00 0.00 174.94 173.77 1xy3 s ASP 141 N 1.26 5.80 -0.10 3.58 1.01 0.42 -2.07 116.67 126.57 1xy3 s ASP 141 Ca 0.03 -0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.32 1xy3 s ASP 141 Cb -0.14 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.74 1xy3 s ASP 141 CO -0.08 0.02 -0.23 -0.63 0.21 0.00 0.00 175.17 174.46 1xy3 s ILE 142 N 1.35 1.98 -0.32 0.77 1.01 -1.26 -0.13 121.20 124.59 1xy3 s ILE 142 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1xy3 s ILE 142 Cb -0.15 -1.72 0.09 0.00 0.01 0.00 0.00 42.46 40.69 1xy3 s ILE 142 CO 0.06 0.54 0.03 -0.54 0.00 0.00 0.00 174.94 175.03 1xy3 s LYS 143 N 0.45 1.44 0.41 2.79 1.02 -0.66 -2.12 119.74 123.07 1xy3 s LYS 143 Ca -0.17 -1.59 -0.08 0.00 0.02 0.00 0.00 55.97 54.16 1xy3 s LYS 143 Cb -0.17 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 1xy3 s LYS 143 CO 0.07 -0.87 0.73 -1.12 -0.92 0.00 0.00 175.35 173.24 1xy3 s SER 144 N 1.10 6.43 -0.02 2.83 0.01 -0.86 -1.50 113.70 121.69 1xy3 s SER 144 Ca 0.07 0.99 -0.30 0.00 1.31 0.00 0.00 55.95 58.02 1xy3 s SER 144 Cb -0.19 -2.26 0.11 0.00 0.21 0.00 0.00 66.02 63.88 1xy3 s SER 144 CO -0.11 -0.41 0.99 -0.94 0.41 0.00 0.00 173.24 173.18 1xy3 s SER 145 N -3.44 -0.27 -0.01 2.44 1.04 -0.99 -0.27 113.70 112.19 1xy3 s SER 145 Ca 0.49 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.89 1xy3 s SER 145 Cb -0.10 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1xy3 s SER 145 CO 0.35 -0.56 -0.16 -1.48 0.98 0.00 0.00 173.24 172.37 1xy3 s LEU 146 N -2.52 2.02 0.13 2.42 0.05 -0.22 -0.77 118.68 119.79 1xy3 s LEU 146 Ca 0.08 -0.29 -0.06 0.00 0.05 0.00 0.00 54.13 53.91 1xy3 s LEU 146 Cb -0.01 -0.82 -0.02 0.00 -2.05 0.00 0.00 46.19 43.30 1xy3 s LEU 146 CO -0.06 0.19 0.16 -0.94 -0.55 0.00 0.00 176.35 175.15 1xy3 s SER 147 N -0.35 0.18 -0.48 1.48 1.04 -1.05 -1.37 113.70 113.16 1xy3 s SER 147 Ca 0.06 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1xy3 s SER 147 Cb -0.06 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1xy3 s SER 147 CO -0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1xy3 n GLY 148 N -0.12 0.66 3.55 7.32 0.00 -1.22 -0.97 105.19 114.41 1xy3 n GLY 148 Ca -0.09 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1xy3 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xy3 s LEU 149 N -1.09 4.29 -0.20 0.99 2.96 -1.22 -4.02 118.68 120.40 1xy3 s LEU 149 Ca 0.00 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1xy3 s LEU 149 Cb 0.00 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 1xy3 s LEU 149 CO 0.00 -0.72 0.01 -0.89 -1.32 0.00 0.00 176.35 173.43 1xy3 s THR 150 N 2.90 4.10 0.24 3.68 2.01 -1.26 0.15 115.64 127.47 1xy3 s THR 150 Ca 0.26 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.04 1xy3 s THR 150 Cb -0.14 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1xy3 s THR 150 CO 0.18 0.43 -0.03 0.68 -0.69 0.00 0.00 174.62 175.19 1xy3 s VAL 151 N 0.88 1.24 -0.25 3.82 -7.23 -0.79 -5.02 120.40 113.04 1xy3 s VAL 151 Ca 0.01 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 1xy3 s VAL 151 Cb -0.14 -2.36 0.07 0.00 0.56 0.00 0.00 36.38 34.51 1xy3 s VAL 151 CO 0.02 -0.34 0.64 -0.22 -0.31 0.00 0.00 175.10 174.89 1xy3 s LEU 152 N -3.34 -0.61 -0.12 1.32 0.20 -1.26 -2.24 118.68 112.64 1xy3 s LEU 152 Ca 0.28 1.34 0.02 0.00 0.69 0.00 0.00 54.13 56.46 1xy3 s LEU 152 Cb 0.05 2.19 0.01 0.00 -0.43 0.00 0.00 46.19 48.01 1xy3 s LEU 152 CO 0.09 -0.23 -0.18 -1.59 -0.29 0.00 0.00 176.35 174.16 1xy3 s LYS 153 N 0.93 2.49 0.52 1.98 -2.85 -0.33 -5.00 119.74 117.48 1xy3 s LYS 153 Ca -0.05 -0.66 0.33 0.00 -1.00 0.00 0.00 55.97 54.59 1xy3 s LYS 153 Cb -0.05 -2.07 1.34 0.00 -2.06 0.00 0.00 37.83 34.99 1xy3 s LYS 153 CO -0.08 -0.04 1.96 0.66 0.10 0.00 0.00 175.35 177.95 1xy3 h SER 154 N 7.37 0.00 -1.40 0.03 4.64 -1.88 -2.14 113.55 120.18 1xy3 h SER 154 Ca -0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1xy3 h SER 154 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xy3 h SER 154 CO 0.51 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.54 1xy3 n THR 155 N -3.00 0.00 -3.31 2.95 5.66 -1.26 -4.32 114.28 111.01 1xy3 n THR 155 Ca 0.01 -0.06 -0.16 0.00 -3.05 0.00 0.00 64.05 60.79 1xy3 n THR 155 Cb 0.29 0.04 0.08 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.62 -3.04 -3.71 1.09 4.13 -1.26 -4.85 115.26 105.99 1xy3 n ASN 156 Ca -0.00 -0.52 -0.12 0.00 1.68 0.00 0.00 54.58 55.61 1xy3 n ASN 156 Cb 0.02 -4.53 -0.10 0.00 -1.54 0.00 0.00 39.78 33.64 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 -3.95 -0.52 0.34 6.41 0.15 -1.26 -4.11 113.70 110.76 1xy3 s SER 157 Ca 0.14 0.95 0.04 0.00 0.70 0.00 0.00 55.95 57.78 1xy3 s SER 157 Cb -0.06 0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 65.14 1xy3 s SER 157 CO 0.64 -0.17 0.16 -1.10 1.20 0.00 0.00 173.24 173.96 1xy3 s GLN 158 N 0.63 1.71 -0.35 5.44 -0.21 -1.04 -1.34 119.66 124.50 1xy3 s GLN 158 Ca -0.03 -2.00 0.05 0.00 0.02 0.00 0.00 55.36 53.40 1xy3 s GLN 158 Cb -0.05 -0.23 0.19 0.00 1.00 0.00 0.00 33.01 33.92 1xy3 s GLN 158 CO -0.04 -0.47 0.67 0.12 -2.12 0.00 0.00 175.29 173.45 1xy3 s PHE 159 N -3.46 -1.63 0.18 0.91 5.36 -0.43 -4.28 117.98 114.63 1xy3 s PHE 159 Ca 0.33 0.57 -0.05 0.00 -0.96 0.00 0.00 56.93 56.82 1xy3 s PHE 159 Cb 0.04 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.98 1xy3 s PHE 159 CO 0.18 -1.03 0.20 1.67 -1.46 0.00 0.00 175.22 174.78 1xy3 s TRP 160 N 2.30 0.77 0.00 10.12 1.48 -1.26 -2.40 118.94 129.95 1xy3 s TRP 160 Ca 0.14 -1.09 0.00 0.00 -1.06 0.00 0.00 56.10 54.10 1xy3 s TRP 160 Cb -0.06 -0.30 0.00 0.00 -1.16 0.00 0.00 33.47 31.96 1xy3 s TRP 160 CO -0.16 -0.69 0.00 0.41 -4.06 0.00 0.00 176.95 172.46 1xy3 n GLY 161 N -0.23 0.90 3.78 3.67 0.00 -1.26 -5.01 105.19 107.04 1xy3 n GLY 161 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.35 2.78 0.25 1.61 -0.71 -1.26 -4.96 117.98 112.34 1xy3 s PHE 162 Ca 0.00 1.54 -0.31 0.00 -1.04 0.00 0.00 56.93 57.12 1xy3 s PHE 162 Cb 0.00 -3.12 -0.13 0.00 -1.21 0.00 0.00 43.02 38.55 1xy3 s PHE 162 CO 0.00 -1.41 1.45 -0.11 -1.34 0.00 0.00 175.22 173.82 1xy3 n LEU 163 N -1.99 3.36 -4.33 -1.99 0.00 -1.26 -5.00 117.00 105.79 1xy3 n LEU 163 Ca 0.10 1.14 -0.31 0.00 0.00 0.00 0.00 56.01 56.94 1xy3 n LEU 163 Cb 0.52 -1.46 -0.16 0.00 0.00 0.00 0.00 43.42 42.32 1xy3 n LEU 163 CO 0.46 -0.35 -0.55 -0.13 0.00 0.00 0.00 177.39 176.82 1xy3 s ARG 164 N -0.37 2.25 0.00 1.96 0.52 -1.26 -4.94 118.95 117.11 1xy3 s ARG 164 Ca 0.68 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1xy3 s ARG 164 Cb -0.62 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1xy3 s ARG 164 CO 0.49 0.53 0.00 -0.40 0.02 0.00 0.00 175.30 175.94 1xy3 n ASP 165 N 2.52 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 118.71 1xy3 n ASP 165 Ca -0.16 -0.26 0.06 0.00 -0.50 0.00 0.00 54.79 53.92 1xy3 n ASP 165 Cb 0.51 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.84 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 0.57 0.00 0.11 0.00 -1.26 -2.22 120.64 117.84 1xy3 n GLU 166 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.19 1xy3 n GLU 166 Cb 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 31.44 30.14 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 -0.81 0.00 -3.52 -1.84 4.01 -1.26 -5.02 117.16 108.72 1xy3 n TYR 167 Ca 0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 1xy3 n TYR 167 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.78 5.11 0.00 -0.72 2.01 -0.94 -4.92 115.64 115.39 1xy3 s THR 168 Ca 0.06 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1xy3 s THR 168 Cb 0.05 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1xy3 s THR 168 CO 0.12 0.54 0.00 0.35 -0.69 0.00 0.00 174.62 174.94 1xy3 n THR 169 N 2.14 0.00 -2.06 -0.82 -2.24 -1.26 -4.83 114.28 105.21 1xy3 n THR 169 Ca -0.14 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1xy3 n THR 169 Cb 0.52 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.37 4.37 0.28 3.22 2.96 -1.26 -5.01 118.68 122.87 1xy3 s LEU 170 Ca 0.00 2.46 -0.19 0.00 -0.22 0.00 0.00 54.13 56.18 1xy3 s LEU 170 Cb 0.00 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1xy3 s LEU 170 CO 0.00 -0.74 0.78 -0.54 -1.32 0.00 0.00 176.35 174.53 1xy3 s LYS 171 N 1.16 4.23 0.47 1.98 1.02 -1.26 -5.05 119.74 122.29 1xy3 s LYS 171 Ca 0.67 0.90 -0.22 0.00 0.02 0.00 0.00 55.97 57.35 1xy3 s LYS 171 Cb -0.40 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.15 1xy3 s LYS 171 CO 0.31 0.27 1.08 -1.21 -0.92 0.00 0.00 175.35 174.88 1xy3 s GLU 172 N -2.37 3.83 0.03 1.68 2.02 -1.26 -5.00 118.70 117.62 1xy3 s GLU 172 Ca 0.49 1.52 0.01 0.00 0.02 0.00 0.00 54.97 57.00 1xy3 s GLU 172 Cb -0.14 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 1xy3 s GLU 172 CO 0.20 -0.44 -0.05 -0.08 0.02 0.00 0.00 175.26 174.92 1xy3 s THR 173 N -1.78 0.25 -1.22 3.63 -1.32 -1.01 -5.01 115.64 109.19 1xy3 s THR 173 Ca 0.65 -0.97 0.10 0.00 -1.21 0.00 0.00 61.69 60.26 1xy3 s THR 173 Cb -0.21 -0.38 0.12 0.00 -1.51 0.00 0.00 72.50 70.52 1xy3 s THR 173 CO 0.26 -0.46 0.90 0.79 -2.21 0.00 0.00 174.62 173.89 1xy3 n TRP 174 N 1.55 0.08 -3.48 9.09 8.01 -1.26 -1.32 117.44 130.11 1xy3 n TRP 174 Ca -0.24 -0.09 -0.04 0.00 -1.31 0.00 0.00 57.50 55.83 1xy3 n TRP 174 Cb 0.55 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.31 29.79 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 -0.89 -0.65 0.28 -0.99 2.15 -1.24 -4.56 116.67 110.77 1xy3 s ASP 175 Ca 0.14 0.97 -0.12 0.00 0.43 0.00 0.00 52.55 53.97 1xy3 s ASP 175 Cb 0.09 1.75 0.00 0.00 -0.30 0.00 0.00 42.92 44.46 1xy3 s ASP 175 CO 0.13 -0.25 0.52 0.00 -0.17 0.00 0.00 175.17 175.41 1xy3 s ARG 176 N 2.73 1.71 -0.06 4.34 1.70 -0.45 -4.99 118.95 123.93 1xy3 s ARG 176 Ca 0.05 -1.36 -0.18 0.00 -0.47 0.00 0.00 55.73 53.78 1xy3 s ARG 176 Cb -0.13 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 1xy3 s ARG 176 CO -0.17 -0.73 0.49 0.42 -1.08 0.00 0.00 175.30 174.23 1xy3 s ILE 177 N -3.64 5.08 -0.24 4.99 1.01 -1.26 -4.04 121.20 123.10 1xy3 s ILE 177 Ca 0.23 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.89 1xy3 s ILE 177 Cb -0.01 -3.82 0.05 0.00 0.01 0.00 0.00 42.46 38.69 1xy3 s ILE 177 CO 0.11 0.41 -0.13 -0.22 0.00 0.00 0.00 174.94 175.12 1xy3 s LEU 178 N 0.03 3.00 0.11 2.97 2.96 -0.81 -4.80 118.68 122.14 1xy3 s LEU 178 Ca 0.26 -1.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.07 1xy3 s LEU 178 Cb -0.16 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1xy3 s LEU 178 CO 0.13 -0.15 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.28 1xy3 s SER 179 N 1.19 2.31 -0.20 3.68 0.15 -1.26 -1.18 113.70 118.39 1xy3 s SER 179 Ca -0.05 -0.71 -0.32 0.00 0.70 0.00 0.00 55.95 55.57 1xy3 s SER 179 Cb -0.18 -0.11 0.15 0.00 -1.71 0.00 0.00 66.02 64.16 1xy3 s SER 179 CO -0.07 -0.01 1.18 0.28 1.20 0.00 0.00 173.24 175.82 1xy3 s THR 180 N -1.42 0.00 0.21 6.45 -1.32 -0.95 -2.14 115.64 116.48 1xy3 s THR 180 Ca 0.06 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.43 1xy3 s THR 180 Cb -0.09 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.83 1xy3 s THR 180 CO 0.04 0.00 0.55 -1.81 -2.21 0.00 0.00 174.62 171.19 1xy3 s ASP 181 N -1.65 6.68 -0.17 8.08 1.01 -1.21 -1.89 116.67 127.52 1xy3 s ASP 181 Ca 0.06 0.97 0.00 0.00 0.71 0.00 0.00 52.55 54.30 1xy3 s ASP 181 Cb -0.01 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.68 1xy3 s ASP 181 CO -0.04 -0.03 -0.16 -0.69 0.21 0.00 0.00 175.17 174.46 1xy3 s VAL 182 N -1.73 2.51 -0.29 -1.27 1.01 0.41 -3.70 120.40 117.33 1xy3 s VAL 182 Ca 0.45 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xy3 s VAL 182 Cb -0.12 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.27 1xy3 s VAL 182 CO 0.20 0.51 0.00 -0.62 0.00 0.00 0.00 175.10 175.20 1xy3 s ASP 183 N 1.08 4.34 -0.07 3.32 -1.08 -1.08 -3.43 116.67 119.76 1xy3 s ASP 183 Ca -0.00 -1.68 0.03 0.00 -0.52 0.00 0.00 52.55 50.39 1xy3 s ASP 183 Cb -0.14 -1.36 -0.02 0.00 -1.46 0.00 0.00 42.92 39.93 1xy3 s ASP 183 CO -0.05 -0.31 -0.16 0.00 0.52 0.00 0.00 175.17 175.16 1xy3 s ALA 184 N 1.19 2.54 -0.04 3.66 0.00 -0.47 -0.81 121.76 127.84 1xy3 s ALA 184 Ca 0.03 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1xy3 s ALA 184 Cb -0.19 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1xy3 s ALA 184 CO -0.10 0.45 -0.07 0.99 0.00 0.00 0.00 175.76 177.03 1xy3 s THR 185 N -0.35 0.73 -0.16 0.00 2.01 0.67 -1.06 115.64 117.48 1xy3 s THR 185 Ca 0.03 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1xy3 s THR 185 Cb -0.12 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1xy3 s THR 185 CO 0.02 0.26 -0.20 -1.66 -0.69 0.00 0.00 174.62 172.35 1xy3 s TRP 186 N 0.63 2.68 -0.31 4.92 -2.14 0.62 0.47 118.94 125.81 1xy3 s TRP 186 Ca -0.10 -1.50 -0.18 0.00 2.66 0.00 0.00 56.10 56.98 1xy3 s TRP 186 Cb -0.13 -1.85 -0.01 0.00 -3.10 0.00 0.00 33.47 28.38 1xy3 s TRP 186 CO 0.01 -0.73 0.53 -1.14 -2.66 0.00 0.00 176.95 172.96 1xy3 s GLN 187 N 1.14 3.81 0.82 3.25 0.74 -0.31 -2.03 119.66 127.09 1xy3 s GLN 187 Ca 0.01 0.07 -0.11 0.00 0.05 0.00 0.00 55.36 55.37 1xy3 s GLN 187 Cb -0.14 -3.74 0.08 0.00 1.10 0.00 0.00 33.01 30.31 1xy3 s GLN 187 CO -0.09 -0.54 1.09 -1.58 -0.55 0.00 0.00 175.29 173.63 1xy3 s TRP 188 N 2.40 2.66 0.40 1.67 0.52 -0.90 0.35 118.94 126.05 1xy3 s TRP 188 Ca 0.20 1.22 -0.23 0.00 0.02 0.00 0.00 56.10 57.32 1xy3 s TRP 188 Cb -0.15 -3.12 -0.09 0.00 -1.15 0.00 0.00 33.47 28.95 1xy3 s TRP 188 CO 0.12 -1.94 1.01 0.21 0.02 0.00 0.00 176.95 176.36 1xy3 s LYS 189 N -5.06 4.20 0.38 4.98 2.20 -0.20 -4.57 119.74 121.67 1xy3 s LYS 189 Ca 0.61 1.37 -0.26 0.00 -0.36 0.00 0.00 55.97 57.34 1xy3 s LYS 189 Cb -0.16 -2.44 -0.12 0.00 -1.51 0.00 0.00 37.83 33.60 1xy3 s LYS 189 CO 0.55 -0.08 1.04 -1.71 -0.36 0.00 0.00 175.35 174.79 1xy3 n ASN 190 N -0.21 1.45 -4.60 1.43 2.85 -1.26 -4.85 115.26 110.07 1xy3 n ASN 190 Ca 0.06 1.09 -0.33 0.00 -0.11 0.00 0.00 54.58 55.29 1xy3 n ASN 190 Cb 0.51 -1.35 -0.10 0.00 1.24 0.00 0.00 39.78 40.07 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 -1.21 2.93 0.08 1.20 0.08 -0.88 -4.98 117.98 115.21 1xy3 s PHE 191 Ca 0.61 -0.00 -0.20 0.00 0.12 0.00 0.00 56.93 57.46 1xy3 s PHE 191 Cb -0.59 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.12 1xy3 s PHE 191 CO 0.58 0.37 1.54 0.66 -0.10 0.00 0.00 175.22 178.28 1xy3 h SER 192 N 4.74 0.34 -1.53 1.36 4.64 -1.93 0.00 113.55 121.17 1xy3 h SER 192 Ca -0.49 -0.27 0.04 0.00 -0.47 0.00 0.00 61.79 60.61 1xy3 h SER 192 Cb 1.17 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1xy3 h SER 192 CO 0.54 0.52 0.21 0.61 -0.87 0.00 0.00 176.83 177.84 1xy3 n GLY 193 N -0.43 1.17 0.37 -0.77 0.00 -1.26 -4.36 105.19 99.91 1xy3 n GLY 193 Ca -0.04 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 0.70 -0.22 0.99 6.46 -1.93 -2.62 115.31 118.68 1xy3 h LEU 194 Ca -0.12 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1xy3 h LEU 194 Cb 0.51 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1xy3 h LEU 194 CO 0.16 0.35 0.02 -0.61 -0.62 0.00 0.00 178.44 177.74 1xy3 h GLN 195 N 0.73 0.09 -0.35 1.25 4.15 -1.99 -1.41 115.11 117.57 1xy3 h GLN 195 Ca 0.46 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.87 1xy3 h GLN 195 Cb 0.70 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1xy3 h GLN 195 CO -0.22 0.06 0.20 1.49 -1.93 0.00 0.00 178.83 178.43 1xy3 h GLU 196 N 0.09 0.49 -0.66 1.69 4.81 -1.88 -2.30 114.58 116.81 1xy3 h GLU 196 Ca 0.10 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1xy3 h GLU 196 Cb 0.12 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 1xy3 h GLU 196 CO -0.16 0.38 0.26 0.28 -0.73 0.00 0.00 179.01 179.05 1xy3 h VAL 197 N 0.45 0.75 -0.11 0.32 2.07 -1.36 -0.16 116.25 118.22 1xy3 h VAL 197 Ca 0.13 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1xy3 h VAL 197 Cb 0.03 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1xy3 h VAL 197 CO -0.02 0.08 -0.02 0.03 0.02 0.00 0.00 177.57 177.66 1xy3 h ARG 198 N 0.44 0.15 0.00 1.57 3.08 -0.81 -1.58 114.38 117.24 1xy3 h ARG 198 Ca 0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1xy3 h ARG 198 Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1xy3 h ARG 198 CO -0.33 0.19 0.00 -1.13 -1.07 0.00 0.00 179.97 177.64 1xy3 n SER 199 N -4.42 0.05 -0.17 7.04 3.41 -0.09 -3.19 113.62 116.25 1xy3 n SER 199 Ca -0.01 0.51 0.02 0.00 -0.26 0.00 0.00 58.87 59.12 1xy3 n SER 199 Cb 0.16 -0.52 0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1xy3 n SER 199 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xy3 n HIS 200 N -1.55 0.09 -0.31 7.33 8.25 -0.63 -4.83 115.22 123.57 1xy3 n HIS 200 Ca 0.06 -0.35 0.16 0.00 -0.26 0.00 0.00 57.72 57.33 1xy3 n HIS 200 Cb 0.28 -0.03 0.34 0.00 1.12 0.00 0.00 29.99 31.69 1xy3 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xy3 h VAL 201 N 0.60 0.22 -0.05 1.59 2.07 -1.43 -0.10 116.25 119.14 1xy3 h VAL 201 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1xy3 h VAL 201 Cb 0.43 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1xy3 h VAL 201 CO 0.00 0.03 -0.08 -0.65 0.02 0.00 0.00 177.57 176.88 1xy3 h PRO 202 N 0.15 0.08 0.00 1.57 0.11 -1.88 -2.74 132.00 129.29 1xy3 h PRO 202 Ca 0.61 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.68 1xy3 h PRO 202 Cb 1.30 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xy3 h PRO 202 CO -0.72 0.17 -0.13 0.87 -0.21 0.00 0.00 178.00 177.97 1xy3 h LYS 203 N 0.07 0.00 0.67 1.05 1.57 -1.39 -3.24 116.57 115.30 1xy3 h LYS 203 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1xy3 h LYS 203 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1xy3 h LYS 203 CO 0.01 0.13 -0.32 0.74 -0.57 0.00 0.00 179.45 179.44 1xy3 h PHE 204 N 0.00 -0.84 -0.74 -1.35 0.04 -1.55 -1.79 116.94 110.71 1xy3 h PHE 204 Ca -0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1xy3 h PHE 204 Cb 0.51 0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.90 1xy3 h PHE 204 CO 0.00 -0.49 0.37 -0.44 -0.60 0.00 0.00 178.31 177.16 1xy3 h ASP 205 N -1.13 0.94 -0.52 2.17 3.32 -1.73 -2.16 116.42 117.31 1xy3 h ASP 205 Ca -0.09 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 1xy3 h ASP 205 Cb 0.72 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1xy3 h ASP 205 CO 0.15 0.79 -0.09 0.00 -1.72 0.00 0.00 179.24 178.37 1xy3 h ALA 206 N 1.36 0.82 -0.29 3.45 0.00 -1.61 -2.55 119.26 120.45 1xy3 h ALA 206 Ca 0.26 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1xy3 h ALA 206 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xy3 h ALA 206 CO -0.04 0.66 -0.43 1.15 0.00 0.00 0.00 179.25 180.59 1xy3 h THR 207 N 0.89 1.29 -0.64 0.00 2.02 -1.06 -1.84 112.91 113.57 1xy3 h THR 207 Ca 0.14 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1xy3 h THR 207 Cb 0.64 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1xy3 h THR 207 CO 0.04 0.52 0.32 -0.25 0.37 0.00 0.00 175.52 176.52 1xy3 h TRP 208 N 0.59 0.92 -0.03 3.16 7.01 -1.33 0.08 115.95 126.35 1xy3 h TRP 208 Ca 0.04 -0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 1xy3 h TRP 208 Cb 0.98 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1xy3 h TRP 208 CO 0.05 0.69 -0.28 0.00 -2.79 0.00 0.00 178.44 176.11 1xy3 h ALA 209 N 1.14 1.48 -0.06 2.65 0.00 -1.30 -2.11 119.26 121.06 1xy3 h ALA 209 Ca 0.22 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1xy3 h ALA 209 Cb 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xy3 h ALA 209 CO -0.03 0.38 -0.65 1.15 0.00 0.00 0.00 179.25 180.11 1xy3 h THR 210 N 0.04 1.36 -0.90 0.00 2.02 -0.60 -2.24 112.91 112.60 1xy3 h THR 210 Ca 0.01 -1.98 -0.01 0.00 0.77 0.00 0.00 66.41 65.19 1xy3 h THR 210 Cb 0.52 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1xy3 h THR 210 CO 0.04 0.60 0.51 0.00 0.37 0.00 0.00 175.52 177.04 1xy3 h ALA 211 N 0.43 1.21 0.10 6.16 0.00 -0.78 -0.41 119.26 125.97 1xy3 h ALA 211 Ca -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xy3 h ALA 211 Cb 1.31 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1xy3 h ALA 211 CO 0.13 0.65 -0.05 -0.09 0.00 0.00 0.00 179.25 179.90 1xy3 h ARG 212 N 1.25 -0.13 -0.82 0.00 2.43 -1.41 -1.87 114.38 113.83 1xy3 h ARG 212 Ca 0.32 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1xy3 h ARG 212 Cb -0.01 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1xy3 h ARG 212 CO -0.05 0.24 0.48 1.49 -1.51 0.00 0.00 179.97 180.62 1xy3 h GLU 213 N -0.53 1.11 -0.12 0.20 4.81 -1.25 -0.45 114.58 118.35 1xy3 h GLU 213 Ca -0.01 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 1xy3 h GLU 213 Cb 0.44 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1xy3 h GLU 213 CO 0.02 0.79 -0.47 0.28 -0.73 0.00 0.00 179.01 178.90 1xy3 h VAL 214 N 1.13 1.33 -0.22 0.32 2.07 -1.09 -1.35 116.25 118.44 1xy3 h VAL 214 Ca 0.29 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.05 1xy3 h VAL 214 Cb -0.03 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1xy3 h VAL 214 CO -0.05 0.50 -0.24 0.74 0.02 0.00 0.00 177.57 178.54 1xy3 h THR 215 N 0.23 1.33 -0.33 2.57 2.02 -0.60 -1.99 112.91 116.14 1xy3 h THR 215 Ca 0.01 -1.42 -0.17 0.00 0.77 0.00 0.00 66.41 65.60 1xy3 h THR 215 Cb 0.92 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1xy3 h THR 215 CO 0.08 0.44 -0.47 -0.07 0.37 0.00 0.00 175.52 175.86 1xy3 h LEU 216 N 0.23 0.98 -0.23 2.58 4.07 -1.05 -2.92 115.31 118.97 1xy3 h LEU 216 Ca 0.03 -0.50 -0.17 0.00 0.08 0.00 0.00 57.88 57.32 1xy3 h LEU 216 Cb 0.80 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1xy3 h LEU 216 CO 0.06 1.29 -0.53 0.50 -1.08 0.00 0.00 178.44 178.68 1xy3 h LYS 217 N 0.70 0.77 -0.39 1.13 3.64 -1.27 -2.41 116.57 118.74 1xy3 h LYS 217 Ca 0.04 -0.52 -0.14 0.00 -1.27 0.00 0.00 60.65 58.76 1xy3 h LYS 217 Cb 1.07 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1xy3 h LYS 217 CO 0.11 1.14 -0.32 1.15 -2.27 0.00 0.00 179.45 179.26 1xy3 h THR 218 N 0.51 1.28 -0.21 1.00 2.02 -1.45 -1.32 112.91 114.73 1xy3 h THR 218 Ca -0.00 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1xy3 h THR 218 Cb 1.14 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1xy3 h THR 218 CO 0.12 0.50 0.07 0.15 0.37 0.00 0.00 175.52 176.72 1xy3 h PHE 219 N 0.73 0.34 -0.42 3.16 3.57 -1.55 0.15 116.94 122.92 1xy3 h PHE 219 Ca 0.08 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1xy3 h PHE 219 Cb 0.88 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1xy3 h PHE 219 CO 0.05 0.40 -0.07 0.00 -2.23 0.00 0.00 178.31 176.46 1xy3 h ALA 220 N 0.89 0.57 0.00 2.41 0.00 -1.39 -3.31 119.26 118.44 1xy3 h ALA 220 Ca 0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1xy3 h ALA 220 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xy3 h ALA 220 CO -0.00 0.42 -1.06 0.93 0.00 0.00 0.00 179.25 179.54 1xy3 h GLU 221 N 0.61 0.00 -6.38 0.00 5.08 -1.25 -3.46 114.58 109.18 1xy3 h GLU 221 Ca 0.11 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.90 1xy3 h GLU 221 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1xy3 h GLU 221 CO 0.04 0.13 1.06 0.34 -1.00 0.00 0.00 179.01 179.58 1xy3 s ASP 222 N -5.63 6.44 -1.12 1.42 2.15 0.04 -4.94 116.67 115.03 1xy3 s ASP 222 Ca -0.01 1.22 -0.09 0.00 0.43 0.00 0.00 52.55 54.10 1xy3 s ASP 222 Cb 0.09 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.44 1xy3 s ASP 222 CO 0.79 -1.27 1.14 0.21 -0.17 0.00 0.00 175.17 175.87 1xy3 s ASN 223 N 3.73 7.31 0.23 -0.34 3.84 -1.26 -4.86 114.94 123.59 1xy3 s ASN 223 Ca 0.63 -3.55 0.11 0.00 0.21 0.00 0.00 52.86 50.27 1xy3 s ASN 223 Cb -0.18 -2.23 -0.05 0.00 -0.55 0.00 0.00 41.25 38.24 1xy3 s ASN 223 CO 0.28 -0.33 -0.20 -0.55 -2.79 0.00 0.00 177.10 173.51 1xy3 s SER 224 N 1.45 3.60 0.00 -4.21 0.15 -1.26 -4.96 113.70 108.47 1xy3 s SER 224 Ca 0.32 -0.91 0.24 0.00 0.70 0.00 0.00 55.95 56.30 1xy3 s SER 224 Cb -0.09 -0.33 0.47 0.00 -1.71 0.00 0.00 66.02 64.36 1xy3 s SER 224 CO -0.07 0.08 1.42 0.00 1.20 0.00 0.00 173.24 175.87 1xy3 n ALA 225 N -0.16 2.47 -3.60 5.45 0.00 -1.26 -2.50 120.51 120.91 1xy3 n ALA 225 Ca -0.09 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.36 1xy3 n ALA 225 Cb 0.58 -0.92 -0.17 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.79 2.47 0.26 0.00 0.15 -1.26 -4.39 113.70 109.13 1xy3 s SER 226 Ca 0.33 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 1xy3 s SER 226 Cb 0.21 -0.24 0.44 0.00 -1.71 0.00 0.00 66.02 64.72 1xy3 s SER 226 CO 0.31 -0.36 1.82 0.58 1.20 0.00 0.00 173.24 176.79 1xy3 h VAL 227 N 6.42 0.93 -0.82 4.45 2.07 -1.91 -0.46 116.25 126.93 1xy3 h VAL 227 Ca -0.16 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.20 1xy3 h VAL 227 Cb 1.13 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 1xy3 h VAL 227 CO 0.31 0.16 0.40 1.56 0.02 0.00 0.00 177.57 180.02 1xy3 h GLN 228 N 0.89 0.56 -0.34 1.57 7.50 -1.99 0.10 115.11 123.40 1xy3 h GLN 228 Ca 0.43 -0.03 -0.07 0.00 0.50 0.00 0.00 58.65 59.47 1xy3 h GLN 228 Cb 0.38 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.77 1xy3 h GLN 228 CO -0.25 0.37 -0.09 0.00 -1.50 0.00 0.00 178.83 177.36 1xy3 h ALA 229 N 1.55 1.21 0.07 3.87 0.00 -1.52 -2.18 119.26 122.26 1xy3 h ALA 229 Ca 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xy3 h ALA 229 Cb 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xy3 h ALA 229 CO -0.37 0.51 -0.03 1.15 0.00 0.00 0.00 179.25 180.51 1xy3 h THR 230 N 0.53 1.13 -0.55 0.00 2.02 -0.43 -2.55 112.91 113.06 1xy3 h THR 230 Ca 0.10 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1xy3 h THR 230 Cb 0.48 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1xy3 h THR 230 CO 0.03 0.17 0.29 0.00 0.37 0.00 0.00 175.52 176.38 1xy3 h MET 231 N -0.40 0.76 -0.71 6.66 -0.00 -1.15 -1.56 114.93 118.53 1xy3 h MET 231 Ca -0.01 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.59 1xy3 h MET 231 Cb 0.35 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 31.76 1xy3 h MET 231 CO 0.02 0.57 0.35 -0.92 -0.00 0.00 0.00 176.91 176.93 1xy3 h TYR 232 N 0.77 0.99 -0.35 -0.10 3.20 -1.32 0.27 116.97 120.43 1xy3 h TYR 232 Ca 0.20 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 1xy3 h TYR 232 Cb 0.03 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1xy3 h TYR 232 CO 0.00 0.71 -0.21 0.87 -1.64 0.00 0.00 178.16 177.90 1xy3 h LYS 233 N 1.00 0.67 0.04 1.82 1.57 -0.91 -1.39 116.57 119.38 1xy3 h LYS 233 Ca 0.25 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xy3 h LYS 233 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1xy3 h LYS 233 CO -0.03 0.84 -0.02 0.52 -0.57 0.00 0.00 179.45 180.18 1xy3 h MET 234 N 0.59 -0.05 -0.65 3.15 2.86 -0.29 -2.63 114.93 117.91 1xy3 h MET 234 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1xy3 h MET 234 Cb 0.69 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1xy3 h MET 234 CO 0.05 0.08 0.34 0.00 1.06 0.00 0.00 176.91 178.44 1xy3 h ALA 235 N 0.78 0.83 -0.48 6.32 0.00 -0.85 -2.61 119.26 123.25 1xy3 h ALA 235 Ca -0.01 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xy3 h ALA 235 Cb 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1xy3 h ALA 235 CO 0.01 0.36 0.17 0.93 0.00 0.00 0.00 179.25 180.72 1xy3 h GLU 236 N 0.88 0.34 -0.38 0.00 5.08 -1.18 -1.20 114.58 118.12 1xy3 h GLU 236 Ca 0.23 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1xy3 h GLU 236 Cb 0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xy3 h GLU 236 CO -0.03 0.23 0.15 1.96 -1.00 0.00 0.00 179.01 180.31 1xy3 h GLN 237 N 0.35 0.57 -0.36 2.33 4.20 -1.30 -1.18 115.11 119.72 1xy3 h GLN 237 Ca 0.23 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1xy3 h GLN 237 Cb 0.23 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1xy3 h GLN 237 CO -0.23 0.55 0.23 0.82 -0.67 0.00 0.00 178.83 179.54 1xy3 h ILE 238 N 0.47 1.08 -0.39 2.54 2.04 -1.13 -1.60 117.51 120.51 1xy3 h ILE 238 Ca 0.13 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1xy3 h ILE 238 Cb 0.19 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xy3 h ILE 238 CO -0.01 0.09 0.10 -0.07 0.00 0.00 0.00 178.15 178.25 1xy3 h LEU 239 N 0.47 0.53 -0.94 1.44 3.38 -1.09 -1.96 115.31 117.14 1xy3 h LEU 239 Ca 0.13 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1xy3 h LEU 239 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xy3 h LEU 239 CO -0.04 0.53 -0.35 0.00 0.09 0.00 0.00 178.44 178.68 1xy3 h ALA 240 N 1.54 0.99 0.00 1.53 0.00 -0.71 -3.22 119.26 119.40 1xy3 h ALA 240 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xy3 h ALA 240 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xy3 h ALA 240 CO -0.00 0.43 -0.78 0.54 0.00 0.00 0.00 179.25 179.44 1xy3 n ARG 241 N -3.50 0.14 -3.53 0.00 1.74 -0.65 -4.79 116.66 106.07 1xy3 n ARG 241 Ca -0.00 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1xy3 n ARG 241 Cb 0.50 -1.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 1xy3 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1xy3 s GLN 242 N -3.09 0.18 0.58 5.56 2.00 -0.91 -5.00 119.66 118.96 1xy3 s GLN 242 Ca 0.07 -0.29 0.34 0.00 -2.00 0.00 0.00 55.36 53.49 1xy3 s GLN 242 Cb 0.16 -1.26 1.76 0.00 0.80 0.00 0.00 33.01 34.47 1xy3 s GLN 242 CO 0.76 -0.90 2.16 0.37 -0.50 0.00 0.00 175.29 177.18 1xy3 h GLN 243 N 8.38 0.00 0.00 1.67 5.75 -1.87 -2.53 115.11 126.51 1xy3 h GLN 243 Ca -0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1xy3 h GLN 243 Cb 1.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.62 1xy3 h GLN 243 CO 0.37 0.05 0.00 1.28 -2.65 0.00 0.00 178.83 177.88 1xy3 n LEU 244 N -3.35 0.37 -4.73 -2.39 7.99 -1.26 -4.77 117.00 108.87 1xy3 n LEU 244 Ca -0.02 0.54 -0.39 0.00 -0.01 0.00 0.00 56.01 56.14 1xy3 n LEU 244 Cb 0.19 -0.44 -0.05 0.00 -0.11 0.00 0.00 43.42 43.02 1xy3 n LEU 244 CO 0.26 -0.14 0.32 -0.63 -1.51 0.00 0.00 177.39 175.69 1xy3 s ILE 245 N -3.07 5.03 -0.17 -0.08 -1.09 -0.95 -1.04 121.20 119.83 1xy3 s ILE 245 Ca 0.11 1.28 -0.12 0.00 -2.23 0.00 0.00 60.65 59.70 1xy3 s ILE 245 Cb 0.15 -3.96 -0.22 0.00 -1.58 0.00 0.00 42.46 36.84 1xy3 s ILE 245 CO 0.52 0.32 0.23 -0.62 -1.23 0.00 0.00 174.94 174.16 1xy3 n GLU 246 N 3.42 0.68 -4.09 2.79 1.02 0.15 -4.89 120.64 119.72 1xy3 n GLU 246 Ca -0.04 0.36 -0.08 0.00 -0.02 0.00 0.00 57.16 57.38 1xy3 n GLU 246 Cb 0.51 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1xy3 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xy3 s THR 247 N -2.49 0.18 -0.01 2.62 -4.23 -1.19 -3.95 115.64 106.58 1xy3 s THR 247 Ca -0.26 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1xy3 s THR 247 Cb 0.07 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.23 1xy3 s THR 247 CO 0.68 -0.80 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.18 1xy3 s VAL 248 N -3.96 0.74 -0.05 2.29 1.01 0.02 -1.16 120.40 119.30 1xy3 s VAL 248 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1xy3 s VAL 248 Cb 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1xy3 s VAL 248 CO -0.06 0.22 -0.09 -0.70 0.00 0.00 0.00 175.10 174.46 1xy3 s GLU 249 N -0.12 1.23 -0.01 2.72 2.12 0.18 -0.26 118.70 124.55 1xy3 s GLU 249 Ca 0.02 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.14 1xy3 s GLU 249 Cb -0.05 -1.09 -0.02 0.00 0.26 0.00 0.00 34.13 33.23 1xy3 s GLU 249 CO -0.00 0.02 -0.25 0.71 -0.54 0.00 0.00 175.26 175.20 1xy3 s TYR 250 N 0.60 2.27 -0.24 5.30 2.02 -0.87 -0.24 117.35 126.18 1xy3 s TYR 250 Ca -0.10 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.15 1xy3 s TYR 250 Cb -0.13 -1.44 0.07 0.00 -0.40 0.00 0.00 41.96 40.06 1xy3 s TYR 250 CO 0.02 -0.01 0.05 0.45 -1.57 0.00 0.00 175.55 174.49 1xy3 s SER 251 N -0.71 3.39 -0.37 2.29 0.15 0.01 -2.57 113.70 115.89 1xy3 s SER 251 Ca 0.10 -1.14 -0.05 0.00 0.70 0.00 0.00 55.95 55.56 1xy3 s SER 251 Cb -0.10 -0.73 0.07 0.00 -1.71 0.00 0.00 66.02 63.56 1xy3 s SER 251 CO -0.00 -0.34 0.16 -0.76 1.20 0.00 0.00 173.24 173.49 1xy3 s LEU 252 N 1.74 4.75 -0.86 3.45 1.43 0.36 -2.63 118.68 126.92 1xy3 s LEU 252 Ca 0.02 -1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 51.37 1xy3 s LEU 252 Cb -0.17 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.30 1xy3 s LEU 252 CO -0.14 -0.44 1.10 -2.16 0.23 0.00 0.00 176.35 174.94 1xy3 s PRO 253 N 1.29 3.46 0.96 1.29 0.04 -1.24 -1.88 135.00 138.93 1xy3 s PRO 253 Ca 0.02 -1.47 -0.15 0.00 0.04 0.00 0.00 61.00 59.44 1xy3 s PRO 253 Cb -0.22 -4.76 -0.04 0.00 0.04 0.00 0.00 34.50 29.52 1xy3 s PRO 253 CO -0.00 -1.81 -0.09 0.09 0.04 0.00 0.00 177.00 175.23 1xy3 n ASN 254 N 7.00 -3.69 -3.72 6.66 3.02 0.16 -3.31 115.26 121.38 1xy3 n ASN 254 Ca 0.17 0.27 -0.20 0.00 -0.03 0.00 0.00 54.58 54.80 1xy3 n ASN 254 Cb 0.48 -1.02 -0.17 0.00 -0.61 0.00 0.00 39.78 38.45 1xy3 n ASN 254 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xy3 s LYS 255 N -2.94 0.08 -0.09 3.52 1.02 -0.91 -4.30 119.74 116.12 1xy3 s LYS 255 Ca 0.50 0.28 -0.11 0.00 0.02 0.00 0.00 55.97 56.65 1xy3 s LYS 255 Cb -0.20 -0.55 -0.05 0.00 -0.52 0.00 0.00 37.83 36.51 1xy3 s LYS 255 CO 0.74 -0.28 0.27 -1.01 -0.92 0.00 0.00 175.35 174.14 1xy3 s HIS 256 N 1.87 3.61 -0.28 3.18 3.76 -1.26 -4.05 115.29 122.12 1xy3 s HIS 256 Ca 0.02 0.71 0.03 0.00 -0.15 0.00 0.00 55.06 55.67 1xy3 s HIS 256 Cb -0.12 -2.16 0.07 0.00 1.11 0.00 0.00 32.58 31.48 1xy3 s HIS 256 CO -0.03 0.58 -0.06 0.71 -0.85 0.00 0.00 174.74 175.09 1xy3 s TYR 257 N -0.69 3.38 0.42 1.40 1.51 -1.26 -0.10 117.35 122.00 1xy3 s TYR 257 Ca 0.18 -2.51 -0.18 0.00 -1.01 0.00 0.00 57.07 53.55 1xy3 s TYR 257 Cb -0.14 -2.22 -0.10 0.00 -0.11 0.00 0.00 41.96 39.39 1xy3 s TYR 257 CO 0.07 -0.90 0.89 -0.06 -1.11 0.00 0.00 175.55 174.45 1xy3 s PHE 258 N 1.05 3.36 0.36 2.71 0.08 -0.24 -4.83 117.98 120.46 1xy3 s PHE 258 Ca -0.03 1.46 -0.20 0.00 0.12 0.00 0.00 56.93 58.28 1xy3 s PHE 258 Cb -0.20 -2.74 -0.10 0.00 -0.57 0.00 0.00 43.02 39.42 1xy3 s PHE 258 CO -0.06 -0.10 0.86 -1.21 -0.10 0.00 0.00 175.22 174.61 1xy3 s GLU 259 N -3.31 4.23 -0.24 0.44 2.02 -1.26 -1.05 118.70 119.52 1xy3 s GLU 259 Ca 0.59 1.00 -0.02 0.00 0.02 0.00 0.00 54.97 56.56 1xy3 s GLU 259 Cb -0.10 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.71 1xy3 s GLU 259 CO 0.18 0.13 -0.06 0.42 0.02 0.00 0.00 175.26 175.95 1xy3 s ILE 260 N -1.95 3.01 -0.25 -1.63 1.01 -1.25 -4.85 121.20 115.29 1xy3 s ILE 260 Ca 0.56 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1xy3 s ILE 260 Cb -0.12 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1xy3 s ILE 260 CO 0.17 0.28 1.08 -0.62 0.00 0.00 0.00 174.94 175.85 1xy3 s ASP 261 N 1.37 7.03 -0.02 3.58 -1.08 -1.26 -4.55 116.67 121.74 1xy3 s ASP 261 Ca 0.02 1.32 0.05 0.00 -0.52 0.00 0.00 52.55 53.42 1xy3 s ASP 261 Cb -0.16 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.87 1xy3 s ASP 261 CO -0.04 -0.75 1.08 0.18 0.52 0.00 0.00 175.17 176.16 1xy3 n LEU 262 N 6.54 2.28 0.32 -1.34 4.77 -1.26 -4.70 117.00 123.60 1xy3 n LEU 262 Ca 0.12 -2.14 0.21 0.00 -0.03 0.00 0.00 56.01 54.17 1xy3 n LEU 262 Cb 0.46 -0.11 1.09 0.00 -2.33 0.00 0.00 43.42 42.54 1xy3 n LEU 262 CO 0.55 0.57 1.14 0.77 -1.33 0.00 0.00 177.39 179.09 1xy3 h SER 263 N 0.45 0.00 0.73 -1.43 4.64 -1.65 -0.91 113.55 115.38 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 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1xy3 h SER 263 CO 0.01 0.01 0.00 -2.67 -0.87 0.00 0.00 176.83 173.30 1xy3 n TRP 264 N -3.16 0.12 -3.77 4.77 4.27 -1.26 -2.08 117.44 116.33 1xy3 n TRP 264 Ca -0.02 0.04 -0.36 0.00 -3.89 0.00 0.00 57.50 53.27 1xy3 n TRP 264 Cb 0.12 -0.57 -0.11 0.00 -1.36 0.00 0.00 31.31 29.39 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 -3.03 3.46 -1.45 -2.67 5.04 -0.35 -4.72 115.29 111.56 1xy3 s HIS 265 Ca 0.09 -2.67 -0.06 0.00 -1.54 0.00 0.00 55.06 50.88 1xy3 s HIS 265 Cb 0.13 -3.16 0.03 0.00 0.04 0.00 0.00 32.58 29.61 1xy3 s HIS 265 CO 0.38 -0.88 0.53 1.63 -2.34 0.00 0.00 174.74 174.06 1xy3 n LYS 266 N 3.85 -4.23 -3.37 2.88 5.02 -1.26 -1.86 118.16 119.19 1xy3 n LYS 266 Ca 0.04 0.76 -0.24 0.00 -2.02 0.00 0.00 58.31 56.84 1xy3 n LYS 266 Cb 0.39 -5.55 0.01 0.00 -0.02 0.00 0.00 35.03 29.85 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 -1.37 -0.50 3.71 0.72 0.00 -0.88 -4.89 105.19 101.99 1xy3 n GLY 267 Ca -0.09 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -6.66 4.37 -0.48 0.99 2.96 -0.78 -4.81 118.68 114.27 1xy3 s LEU 268 Ca 0.42 2.55 -0.17 0.00 -0.22 0.00 0.00 54.13 56.71 1xy3 s LEU 268 Cb -0.21 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 42.95 1xy3 s LEU 268 CO 0.52 -0.82 0.51 -1.10 -1.32 0.00 0.00 176.35 174.13 1xy3 s GLN 269 N 1.48 3.06 -0.07 1.98 -1.52 -1.26 -1.74 119.66 121.59 1xy3 s GLN 269 Ca 0.70 -1.03 0.14 0.00 -1.95 0.00 0.00 55.36 53.22 1xy3 s GLN 269 Cb -0.42 -4.09 0.27 0.00 -0.22 0.00 0.00 33.01 28.55 1xy3 s GLN 269 CO 0.31 -1.08 1.12 -1.71 -0.25 0.00 0.00 175.29 173.69 1xy3 n ASN 270 N 5.71 1.13 -4.30 5.90 5.15 -1.26 -4.72 115.26 122.87 1xy3 n ASN 270 Ca -0.09 -2.62 -0.18 0.00 -0.60 0.00 0.00 54.58 51.09 1xy3 n ASN 270 Cb 0.45 -0.34 -0.11 0.00 -0.53 0.00 0.00 39.78 39.25 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 -1.26 1.56 0.00 -0.44 -4.23 -1.26 -3.93 115.64 106.09 1xy3 s THR 271 Ca 0.24 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1xy3 s THR 271 Cb 0.25 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1xy3 s THR 271 CO -0.06 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1xy3 n GLY 272 N 0.01 3.05 0.23 3.99 0.00 -1.26 -2.07 105.19 109.14 1xy3 n GLY 272 Ca -0.11 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.49 1.61 1.63 -1.99 -0.45 116.57 116.88 1xy3 h LYS 273 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xy3 h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1xy3 h LYS 273 CO 0.00 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.09 1xy3 n ASN 274 N -2.48 3.32 -4.66 4.20 4.13 -0.88 -4.98 115.26 113.91 1xy3 n ASN 274 Ca -0.02 -2.00 -0.42 0.00 1.68 0.00 0.00 54.58 53.82 1xy3 n ASN 274 Cb 0.20 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 38.09 1xy3 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xy3 s ALA 275 N -1.00 3.63 0.00 5.41 0.00 -0.18 -4.12 121.76 125.50 1xy3 s ALA 275 Ca 0.33 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1xy3 s ALA 275 Cb 0.17 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1xy3 s ALA 275 CO 0.23 -1.28 0.00 0.39 0.00 0.00 0.00 175.76 175.09 1xy3 n GLU 276 N 6.82 0.00 -3.73 0.00 1.02 -1.26 -4.97 120.64 118.52 1xy3 n GLU 276 Ca 0.16 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.93 1xy3 n GLU 276 Cb 0.44 -0.63 -0.11 0.00 -0.02 0.00 0.00 31.44 31.12 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 -1.84 4.97 0.25 2.62 1.01 -1.26 -5.08 120.40 121.06 1xy3 s VAL 277 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1xy3 s VAL 277 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1xy3 s VAL 277 CO 0.00 0.33 -0.18 -0.36 0.00 0.00 0.00 175.10 174.89 1xy3 s PHE 278 N 1.30 2.08 -0.29 5.22 0.40 -1.26 -3.81 117.98 121.61 1xy3 s PHE 278 Ca 0.06 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1xy3 s PHE 278 Cb -0.14 -0.92 0.01 0.00 0.51 0.00 0.00 43.02 42.47 1xy3 s PHE 278 CO 0.06 0.58 0.06 0.00 0.70 0.00 0.00 175.22 176.62 1xy3 s ALA 279 N -2.64 3.01 0.14 5.36 0.00 -0.22 -4.92 121.76 122.50 1xy3 s ALA 279 Ca 0.27 -1.48 -0.31 0.00 0.00 0.00 0.00 51.96 50.45 1xy3 s ALA 279 Cb -0.04 -2.10 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 1xy3 s ALA 279 CO 0.12 -0.94 1.33 -2.14 0.00 0.00 0.00 175.76 174.13 1xy3 s PRO 280 N 1.47 4.36 -0.26 0.00 0.02 -1.26 -1.08 135.00 138.25 1xy3 s PRO 280 Ca 0.02 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 1xy3 s PRO 280 Cb -0.17 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 1xy3 s PRO 280 CO 0.02 -0.34 0.16 -0.65 -0.33 0.00 0.00 177.00 175.86 1xy3 s GLN 281 N 0.60 3.97 0.21 5.54 -1.52 0.85 -4.95 119.66 124.37 1xy3 s GLN 281 Ca 0.61 -0.32 -0.05 0.00 -1.95 0.00 0.00 55.36 53.65 1xy3 s GLN 281 Cb -0.36 -3.57 0.16 0.00 -0.22 0.00 0.00 33.01 29.03 1xy3 s GLN 281 CO 0.33 -0.07 1.63 0.77 -0.25 0.00 0.00 175.29 177.70 1xy3 h SER 282 N 7.96 0.83 -4.96 5.90 0.02 -1.95 -3.37 113.55 117.99 1xy3 h SER 282 Ca -0.37 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.30 1xy3 h SER 282 Cb 1.18 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 63.37 1xy3 h SER 282 CO 0.60 1.01 0.25 1.51 -1.14 0.00 0.00 176.83 179.07 1xy3 s ASP 283 N -6.73 -0.51 0.69 3.07 1.47 -1.26 -4.79 116.67 108.60 1xy3 s ASP 283 Ca -0.10 -0.06 0.00 0.00 1.18 0.00 0.00 52.55 53.58 1xy3 s ASP 283 Cb 0.13 0.58 0.00 0.00 -0.34 0.00 0.00 42.92 43.29 1xy3 s ASP 283 CO 0.84 -0.95 0.00 -0.81 0.68 0.00 0.00 175.17 174.93 1xy3 n PRO 284 N -0.37 0.29 -3.68 2.11 -0.04 -1.26 -5.11 135.00 126.94 1xy3 n PRO 284 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1xy3 n PRO 284 Cb 0.64 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 -1.02 -0.48 0.40 3.54 4.22 -1.26 -4.73 114.94 115.62 1xy3 s ASN 285 Ca 0.00 0.75 -0.25 0.00 -2.14 0.00 0.00 52.86 51.22 1xy3 s ASN 285 Cb 0.00 0.78 -0.09 0.00 1.28 0.00 0.00 41.25 43.22 1xy3 s ASN 285 CO 0.00 -0.33 1.11 -0.83 -2.04 0.00 0.00 177.10 175.02 1xy3 s GLY 286 N -0.39 2.81 -0.08 0.45 0.00 -1.26 -4.84 107.32 104.01 1xy3 s GLY 286 Ca -0.05 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.52 1xy3 s GLY 286 CO 0.03 1.32 -0.09 -2.27 0.00 0.00 0.00 173.10 172.09 1xy3 s LEU 287 N -2.54 1.38 -0.05 0.66 2.96 -1.26 0.36 118.68 120.19 1xy3 s LEU 287 Ca 0.57 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 1xy3 s LEU 287 Cb -0.27 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.65 1xy3 s LEU 287 CO 0.33 -0.05 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.56 1xy3 s ILE 288 N 1.19 1.10 0.29 6.68 1.09 -0.79 -5.00 121.20 125.76 1xy3 s ILE 288 Ca -0.05 -0.49 0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1xy3 s ILE 288 Cb -0.14 -0.99 -0.05 0.00 -1.06 0.00 0.00 42.46 40.22 1xy3 s ILE 288 CO -0.02 0.34 0.09 -0.54 -0.10 0.00 0.00 174.94 174.71 1xy3 s LYS 289 N 0.45 1.52 0.00 2.79 1.02 -1.26 -0.49 119.74 123.77 1xy3 s LYS 289 Ca -0.10 -1.84 0.00 0.00 0.02 0.00 0.00 55.97 54.05 1xy3 s LYS 289 Cb -0.13 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.75 1xy3 s LYS 289 CO 0.03 -0.29 0.00 0.00 -0.92 0.00 0.00 175.35 174.16 1xy3 s THR 291 N -1.36 2.18 -0.18 0.00 2.01 -1.26 -2.06 115.64 114.98 1xy3 s THR 291 Ca 0.00 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1xy3 s THR 291 Cb 0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1xy3 s THR 291 CO 0.00 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 1xy3 s VAL 292 N 1.14 3.92 0.00 3.82 1.01 0.64 -4.95 120.40 125.99 1xy3 s VAL 292 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1xy3 s VAL 292 Cb -0.14 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1xy3 s VAL 292 CO -0.08 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1xy3 n GLY 293 N 3.85 6.04 3.81 4.51 0.00 -1.26 -0.80 105.19 121.35 1xy3 n GLY 293 Ca -0.17 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.12 3.01 0.00 1.61 0.52 -1.25 -5.01 118.95 117.71 1xy3 s ARG 294 Ca 0.00 -0.68 0.09 0.00 -0.52 0.00 0.00 55.73 54.63 1xy3 s ARG 294 Cb 0.00 -2.78 0.56 0.00 0.52 0.00 0.00 34.95 33.25 1xy3 s ARG 294 CO 0.00 0.55 1.01 0.43 0.02 0.00 0.00 175.30 177.31