#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxj s VAL 3 N 0.00 3.66 0.02 0.00 1.01 -1.26 -4.79 120.40 119.04 1xxj s VAL 3 Ca 0.00 -0.07 0.32 0.00 0.00 0.00 0.00 61.98 62.23 1xxj s VAL 3 Cb 0.00 -4.62 0.36 0.00 0.00 0.00 0.00 36.38 32.12 1xxj s VAL 3 CO 0.00 -1.55 1.96 0.11 0.00 0.00 0.00 175.10 175.62 1xxj h LYS 4 N 11.17 0.00 -1.22 2.72 1.57 -2.06 -3.45 116.57 125.30 1xxj h LYS 4 Ca -0.09 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.88 1xxj h LYS 4 Cb 1.06 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.10 1xxj h LYS 4 CO 1.30 0.00 0.82 0.00 -0.57 0.00 0.00 179.45 181.00 1xxj s ALA 5 N -3.64 -2.07 -0.27 3.86 0.00 -1.26 -5.17 121.76 113.21 1xxj s ALA 5 Ca 0.01 1.79 -0.22 0.00 0.00 0.00 0.00 51.96 53.54 1xxj s ALA 5 Cb 0.09 -1.29 0.07 0.00 0.00 0.00 0.00 23.12 21.99 1xxj s ALA 5 CO 0.48 -0.25 0.72 0.00 0.00 0.00 0.00 175.76 176.71 1xxj s ALA 6 N -0.97 -1.82 0.03 0.00 0.00 -1.26 -5.16 121.76 112.59 1xxj s ALA 6 Ca 0.05 2.15 -0.07 0.00 0.00 0.00 0.00 51.96 54.10 1xxj s ALA 6 Cb -0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1xxj s ALA 6 CO -0.05 -0.35 0.12 -0.98 0.00 0.00 0.00 175.76 174.50 1xxj s ARG 7 N 0.77 0.56 0.19 0.00 1.70 -1.26 -4.62 118.95 116.30 1xxj s ARG 7 Ca -0.03 -0.62 -0.21 0.00 -0.47 0.00 0.00 55.73 54.40 1xxj s ARG 7 Cb -0.05 0.23 0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1xxj s ARG 7 CO -0.06 -0.14 0.61 1.52 -1.08 0.00 0.00 175.30 176.15 1xxj s TYR 8 N -2.18 -0.37 -2.78 5.89 1.13 -0.88 -4.90 117.35 113.26 1xxj s TYR 8 Ca -0.08 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 1xxj s TYR 8 Cb -0.03 0.56 0.00 0.00 -1.10 0.00 0.00 41.96 41.38 1xxj s TYR 8 CO -0.02 -0.95 0.00 0.41 -2.51 0.00 0.00 175.55 172.48 1xxj n GLY 9 N -0.39 -0.59 3.37 5.49 0.00 -1.24 0.32 105.19 112.14 1xxj n GLY 9 Ca -0.13 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1xxj n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxj s LYS 10 N -1.11 2.60 0.25 1.61 2.47 -0.45 -4.84 119.74 120.27 1xxj s LYS 10 Ca 0.00 -0.80 0.11 0.00 -1.56 0.00 0.00 55.97 53.72 1xxj s LYS 10 Cb 0.00 -2.30 -0.05 0.00 -1.46 0.00 0.00 37.83 34.03 1xxj s LYS 10 CO 0.00 0.47 -0.13 0.34 0.16 0.00 0.00 175.35 176.19 1xxj s ASP 11 N -0.35 3.97 -1.25 1.43 -1.08 -1.26 -1.27 116.67 116.85 1xxj s ASP 11 Ca 0.03 -0.82 -0.03 0.00 -0.52 0.00 0.00 52.55 51.21 1xxj s ASP 11 Cb -0.12 -0.53 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 1xxj s ASP 11 CO 0.02 0.05 1.03 0.59 0.52 0.00 0.00 175.17 177.38 1xxj n ASN 12 N -0.51 -3.18 -4.44 -0.34 3.02 -1.12 -4.96 115.26 103.73 1xxj n ASN 12 Ca -0.07 -0.61 -0.44 0.00 -0.03 0.00 0.00 54.58 53.43 1xxj n ASN 12 Cb 0.59 -5.02 -0.06 0.00 -0.61 0.00 0.00 39.78 34.68 1xxj n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xxj s VAL 13 N -3.37 4.84 0.12 2.41 1.01 -0.08 -4.85 120.40 120.48 1xxj s VAL 13 Ca 0.17 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1xxj s VAL 13 Cb -0.07 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1xxj s VAL 13 CO 0.74 -0.87 0.89 -0.13 0.00 0.00 0.00 175.10 175.73 1xxj s ARG 14 N 2.71 4.66 -0.00 2.72 0.52 -1.26 0.48 118.95 128.77 1xxj s ARG 14 Ca 0.15 1.33 0.01 0.00 -0.52 0.00 0.00 55.73 56.70 1xxj s ARG 14 Cb -0.19 -3.35 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 1xxj s ARG 14 CO 0.11 0.32 -0.02 0.08 0.02 0.00 0.00 175.30 175.81 1xxj s VAL 15 N -0.31 0.17 -0.03 3.52 1.01 -0.25 -4.96 120.40 119.54 1xxj s VAL 15 Ca 0.43 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1xxj s VAL 15 Cb -0.23 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1xxj s VAL 15 CO 0.28 0.04 -0.08 -0.47 0.00 0.00 0.00 175.10 174.87 1xxj s TYR 16 N -0.08 0.90 -0.02 5.22 6.14 -1.26 -1.58 117.35 126.67 1xxj s TYR 16 Ca 0.01 -0.24 0.02 0.00 0.64 0.00 0.00 57.07 57.49 1xxj s TYR 16 Cb -0.01 -0.67 0.01 0.00 0.42 0.00 0.00 41.96 41.70 1xxj s TYR 16 CO -0.00 -0.13 -0.05 0.21 0.64 0.00 0.00 175.55 176.22 1xxj s LYS 17 N 0.40 0.56 0.07 4.97 2.20 -0.38 -4.99 119.74 122.56 1xxj s LYS 17 Ca -0.06 -0.16 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 1xxj s LYS 17 Cb -0.10 -0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 1xxj s LYS 17 CO 0.01 0.05 -0.09 0.54 -0.36 0.00 0.00 175.35 175.49 1xxj s VAL 18 N 0.26 3.41 -0.23 4.02 0.11 -1.26 -1.13 120.40 125.58 1xxj s VAL 18 Ca -0.03 -1.12 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 1xxj s VAL 18 Cb -0.07 -2.55 0.05 0.00 -1.53 0.00 0.00 36.38 32.28 1xxj s VAL 18 CO -0.00 0.20 -0.11 -2.28 -3.33 0.00 0.00 175.10 169.58 1xxj s HIS 19 N -1.14 2.81 -0.43 1.54 2.46 0.07 -4.96 115.29 115.64 1xxj s HIS 19 Ca 0.20 -1.93 -0.14 0.00 0.47 0.00 0.00 55.06 53.66 1xxj s HIS 19 Cb -0.11 -1.78 0.05 0.00 -0.13 0.00 0.00 32.58 30.61 1xxj s HIS 19 CO 0.12 -0.81 0.32 0.15 -2.47 0.00 0.00 174.74 172.05 1xxj s LYS 20 N 1.26 2.89 -0.08 2.88 1.02 -1.26 -0.59 119.74 125.86 1xxj s LYS 20 Ca -0.04 -1.25 -0.30 0.00 0.02 0.00 0.00 55.97 54.40 1xxj s LYS 20 Cb -0.18 -3.98 -0.03 0.00 -0.52 0.00 0.00 37.83 33.12 1xxj s LYS 20 CO -0.07 -0.90 1.25 0.34 -0.92 0.00 0.00 175.35 175.04 1xxj s ASP 21 N 2.15 6.99 0.04 2.83 3.68 -0.35 -4.95 116.67 127.07 1xxj s ASP 21 Ca 0.04 1.82 -0.28 0.00 2.13 0.00 0.00 52.55 56.26 1xxj s ASP 21 Cb -0.22 -2.55 -0.15 0.00 -1.45 0.00 0.00 42.92 38.54 1xxj s ASP 21 CO 0.07 -0.65 1.41 -0.33 0.13 0.00 0.00 175.17 175.80 1xxj h GLU 22 N 7.74 -0.97 0.00 4.34 4.39 -1.92 0.12 114.58 128.28 1xxj h GLU 22 Ca -0.32 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1xxj h GLU 22 Cb 1.15 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1xxj h GLU 22 CO 0.91 -0.65 0.00 1.17 -1.16 0.00 0.00 179.01 179.28 1xxj n LYS 23 N -4.72 0.00 -0.44 2.33 0.00 -1.26 -3.43 118.16 110.64 1xxj n LYS 23 Ca -0.13 0.00 0.36 0.00 0.00 0.00 0.00 58.31 58.55 1xxj n LYS 23 Cb 0.40 -0.43 0.66 0.00 0.00 0.00 0.00 35.03 35.66 1xxj n LYS 23 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1xxj h THR 24 N 0.00 0.24 0.00 3.15 1.35 -2.00 -3.44 112.91 112.20 1xxj h THR 24 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1xxj h THR 24 Cb 0.00 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.52 1xxj h THR 24 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1xxj n GLY 25 N -1.61 2.86 3.75 5.82 0.00 0.03 -5.00 105.19 111.04 1xxj n GLY 25 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1xxj n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xxj n VAL 26 N -2.00 1.57 -4.27 1.61 0.31 -1.26 -4.60 118.33 109.70 1xxj n VAL 26 Ca 0.00 -0.39 -0.30 0.00 -0.01 0.00 0.00 64.34 63.64 1xxj n VAL 26 Cb 0.00 -1.89 -0.11 0.00 -0.91 0.00 0.00 33.84 30.94 1xxj n VAL 26 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1xxj s GLN 27 N -1.37 1.94 -0.14 5.55 -0.21 0.10 -1.21 119.66 124.32 1xxj s GLN 27 Ca 0.58 -1.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.84 1xxj s GLN 27 Cb -0.51 -2.20 0.04 0.00 1.00 0.00 0.00 33.01 31.34 1xxj s GLN 27 CO 0.57 0.49 -0.00 0.99 -2.12 0.00 0.00 175.29 175.22 1xxj s THR 28 N -1.18 0.65 0.17 -0.19 2.01 0.24 -4.62 115.64 112.72 1xxj s THR 28 Ca 0.19 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 1xxj s THR 28 Cb -0.11 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 1xxj s THR 28 CO 0.12 0.06 0.42 0.68 -0.69 0.00 0.00 174.62 175.20 1xxj s VAL 29 N 1.83 5.11 -0.03 3.82 -7.23 -1.26 -0.75 120.40 121.90 1xxj s VAL 29 Ca 0.02 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.30 1xxj s VAL 29 Cb -0.15 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.18 1xxj s VAL 29 CO -0.07 -0.01 -0.00 -0.31 -0.31 0.00 0.00 175.10 174.40 1xxj s TYR 30 N -1.72 0.31 0.01 2.82 2.02 -0.29 -4.90 117.35 115.61 1xxj s TYR 30 Ca 0.42 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.14 1xxj s TYR 30 Cb -0.12 -0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 41.05 1xxj s TYR 30 CO 0.24 -0.11 -0.07 -2.00 -1.57 0.00 0.00 175.55 172.04 1xxj s GLU 31 N 0.87 0.55 0.14 -0.62 2.12 -1.26 -1.25 118.70 119.26 1xxj s GLU 31 Ca -0.09 -0.39 -0.25 0.00 0.36 0.00 0.00 54.97 54.61 1xxj s GLU 31 Cb -0.12 -0.49 0.07 0.00 0.26 0.00 0.00 34.13 33.84 1xxj s GLU 31 CO -0.01 0.13 0.79 0.00 -0.54 0.00 0.00 175.26 175.62 1xxj s MET 32 N -0.54 1.24 -0.11 4.30 0.23 -0.61 -1.04 119.30 122.77 1xxj s MET 32 Ca -0.00 -0.58 0.04 0.00 -1.03 0.00 0.00 55.69 54.12 1xxj s MET 32 Cb -0.05 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 1xxj s MET 32 CO 0.00 -0.56 -0.23 0.99 -2.03 0.00 0.00 175.02 173.19 1xxj s THR 33 N -3.50 2.03 0.12 3.16 2.01 -0.21 -1.09 115.64 118.16 1xxj s THR 33 Ca 0.07 -0.99 0.10 0.00 0.31 0.00 0.00 61.69 61.18 1xxj s THR 33 Cb -0.02 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1xxj s THR 33 CO -0.04 0.55 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.52 1xxj s VAL 34 N 0.47 2.49 -0.04 3.82 1.01 0.18 -1.77 120.40 126.57 1xxj s VAL 34 Ca -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 1xxj s VAL 34 Cb -0.17 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1xxj s VAL 34 CO 0.06 0.10 0.07 0.00 0.00 0.00 0.00 175.10 175.33 1xxj s VAL 36 N 1.27 1.85 -0.16 0.00 1.01 -0.40 -0.63 120.40 123.34 1xxj s VAL 36 Ca -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1xxj s VAL 36 Cb -0.12 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1xxj s VAL 36 CO -0.04 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.68 1xxj s LEU 37 N 1.11 2.65 0.19 3.92 1.43 0.13 -1.34 118.68 126.77 1xxj s LEU 37 Ca -0.01 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1xxj s LEU 37 Cb -0.14 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1xxj s LEU 37 CO -0.07 0.10 0.30 -0.76 0.23 0.00 0.00 176.35 176.15 1xxj s LEU 38 N 0.74 4.27 0.12 1.79 1.43 0.95 0.15 118.68 128.13 1xxj s LEU 38 Ca -0.05 0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1xxj s LEU 38 Cb -0.15 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 1xxj s LEU 38 CO 0.01 0.01 0.13 -1.61 0.23 0.00 0.00 176.35 175.12 1xxj s GLU 39 N -3.51 0.93 0.00 1.70 2.02 -0.06 -2.08 118.70 117.69 1xxj s GLU 39 Ca 0.34 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1xxj s GLU 39 Cb -0.10 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.42 1xxj s GLU 39 CO 0.28 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1xxj n GLY 40 N -0.09 0.26 3.49 -1.39 0.00 -1.26 -1.81 105.19 104.40 1xxj n GLY 40 Ca -0.09 -1.34 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 1xxj n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xxj s GLU 41 N -2.00 3.92 -0.04 1.61 2.02 0.28 -4.62 118.70 119.88 1xxj s GLU 41 Ca 0.00 -2.19 0.05 0.00 0.02 0.00 0.00 54.97 52.86 1xxj s GLU 41 Cb 0.00 -5.13 0.08 0.00 0.10 0.00 0.00 34.13 29.18 1xxj s GLU 41 CO 0.00 -1.88 0.94 0.44 0.02 0.00 0.00 175.26 174.78 1xxj n ILE 42 N 5.28 0.67 -0.10 -1.63 -5.35 -1.26 -4.85 119.36 112.11 1xxj n ILE 42 Ca 0.35 -0.77 -0.08 0.00 -0.27 0.00 0.00 62.75 61.98 1xxj n ILE 42 Cb 0.45 0.40 -0.00 0.00 -1.74 0.00 0.00 39.64 38.75 1xxj n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1xxj h GLU 43 N 0.00 0.39 0.00 6.28 3.07 -1.99 -2.56 114.58 119.77 1xxj h GLU 43 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xxj h GLU 43 Cb 1.08 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1xxj h GLU 43 CO 0.00 0.26 0.38 1.79 -1.40 0.00 0.00 179.01 180.04 1xxj h THR 44 N 0.41 0.00 0.00 1.13 1.35 -1.91 1.52 112.91 115.41 1xxj h THR 44 Ca 0.14 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.88 1xxj h THR 44 Cb 0.01 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 66.83 1xxj h THR 44 CO -0.07 0.00 -0.56 0.77 -0.25 0.00 0.00 175.52 175.41 1xxj h SER 45 N 0.00 0.00 0.00 5.36 4.64 -1.56 0.75 113.55 122.73 1xxj h SER 45 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1xxj h SER 45 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1xxj h SER 45 CO 0.00 0.56 -0.96 1.88 -0.87 0.00 0.00 176.83 177.45 1xxj h TYR 46 N 0.00 0.00 0.00 4.77 -1.99 0.19 -3.29 116.97 116.65 1xxj h TYR 46 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1xxj h TYR 46 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1xxj h TYR 46 CO 0.00 1.19 0.00 0.25 -0.00 0.00 0.00 178.16 179.60 1xxj n THR 47 N -4.49 0.00 1.87 -2.88 -2.24 0.09 -4.26 114.28 102.38 1xxj n THR 47 Ca -0.25 0.61 0.07 0.00 -2.27 0.00 0.00 64.05 62.21 1xxj n THR 47 Cb 0.58 -1.29 0.37 0.00 -2.10 0.00 0.00 70.33 67.89 1xxj n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xxj n LYS 48 N -1.27 1.11 -3.78 -0.78 5.02 -0.84 -4.92 118.16 112.70 1xxj n LYS 48 Ca 0.00 -0.16 -0.27 0.00 -2.02 0.00 0.00 58.31 55.86 1xxj n LYS 48 Cb 0.00 -1.22 0.04 0.00 -0.02 0.00 0.00 35.03 33.83 1xxj n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xxj n ALA 49 N -0.55 -1.47 -2.93 7.82 0.00 0.04 -4.94 120.51 118.48 1xxj n ALA 49 Ca 0.10 0.16 -0.44 0.00 0.00 0.00 0.00 53.44 53.26 1xxj n ALA 49 Cb 0.08 -4.13 -0.06 0.00 0.00 0.00 0.00 19.45 15.35 1xxj n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xxj s ASP 50 N -3.57 6.19 0.00 0.00 2.15 0.04 -4.92 116.67 116.56 1xxj s ASP 50 Ca 0.49 -1.22 0.05 0.00 0.43 0.00 0.00 52.55 52.30 1xxj s ASP 50 Cb -0.24 -2.27 0.32 0.00 -0.30 0.00 0.00 42.92 40.44 1xxj s ASP 50 CO 0.80 -0.91 1.05 0.59 -0.17 0.00 0.00 175.17 176.53 1xxj n ASN 51 N 5.96 0.00 -0.11 -0.34 3.02 -1.26 -3.72 115.26 118.81 1xxj n ASN 51 Ca -0.09 -1.48 -0.10 0.00 -0.03 0.00 0.00 54.58 52.88 1xxj n ASN 51 Cb 0.44 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.64 1xxj n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1xxj h SER 52 N 0.00 0.90 -0.02 6.41 4.64 -1.97 -2.98 113.55 120.53 1xxj h SER 52 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1xxj h SER 52 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1xxj h SER 52 CO 0.00 1.13 0.00 1.33 -0.87 0.00 0.00 176.83 178.42 1xxj n VAL 53 N -4.08 0.01 -3.12 0.95 0.24 -1.24 -4.82 118.33 106.26 1xxj n VAL 53 Ca -0.01 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 1xxj n VAL 53 Cb 0.49 0.23 -0.07 0.00 -1.47 0.00 0.00 33.84 33.02 1xxj n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xxj s ILE 54 N -1.99 4.86 -0.14 1.34 -1.09 -1.13 -4.91 121.20 118.13 1xxj s ILE 54 Ca 0.40 0.26 -0.29 0.00 -2.23 0.00 0.00 60.65 58.79 1xxj s ILE 54 Cb 0.21 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1xxj s ILE 54 CO 0.34 -0.49 1.11 -0.69 -1.23 0.00 0.00 174.94 173.98 1xxj s VAL 55 N 2.75 4.54 0.38 2.92 1.01 -1.26 -4.95 120.40 125.79 1xxj s VAL 55 Ca 0.23 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.77 1xxj s VAL 55 Cb -0.14 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 1xxj s VAL 55 CO 0.17 -0.08 1.49 0.00 0.00 0.00 0.00 175.10 176.69 1xxj s ALA 56 N 2.68 3.56 0.35 5.51 0.00 -1.26 -4.86 121.76 127.73 1xxj s ALA 56 Ca 0.50 1.58 0.06 0.00 0.00 0.00 0.00 51.96 54.10 1xxj s ALA 56 Cb -0.19 -3.62 0.72 0.00 0.00 0.00 0.00 23.12 20.03 1xxj s ALA 56 CO 0.15 -1.09 1.92 1.79 0.00 0.00 0.00 175.76 178.53 1xxj h THR 57 N 2.93 0.97 -0.98 0.00 1.35 -1.92 0.17 112.91 115.42 1xxj h THR 57 Ca -0.51 -0.27 0.07 0.00 -0.55 0.00 0.00 66.41 65.15 1xxj h THR 57 Cb 1.24 0.11 -0.07 0.00 -1.73 0.00 0.00 68.15 67.70 1xxj h THR 57 CO 0.64 0.15 0.63 -0.78 -0.25 0.00 0.00 175.52 175.90 1xxj h ASP 58 N 0.80 0.99 0.60 5.36 3.58 -1.94 0.17 116.42 125.97 1xxj h ASP 58 Ca 0.37 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.80 1xxj h ASP 58 Cb 0.39 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1xxj h ASP 58 CO -0.14 0.61 -0.20 0.28 -2.88 0.00 0.00 179.24 176.91 1xxj h SER 59 N 1.11 0.00 -0.15 2.28 0.02 -1.04 -1.38 113.55 114.39 1xxj h SER 59 Ca 0.43 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.30 1xxj h SER 59 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1xxj h SER 59 CO -0.19 0.20 -0.25 0.40 -1.14 0.00 0.00 176.83 175.84 1xxj h ILE 60 N 0.00 1.36 -0.45 3.27 2.04 -0.12 -0.86 117.51 122.75 1xxj h ILE 60 Ca -0.00 -1.49 0.08 0.00 1.00 0.00 0.00 64.86 64.44 1xxj h ILE 60 Cb 0.55 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 1xxj h ILE 60 CO 0.03 0.44 0.06 0.50 0.00 0.00 0.00 178.15 179.18 1xxj h LYS 61 N 0.06 0.18 0.02 2.37 3.64 -0.49 -0.84 116.57 121.51 1xxj h LYS 61 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1xxj h LYS 61 Cb 0.83 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1xxj h LYS 61 CO 0.06 0.12 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.33 1xxj h ASN 62 N 0.19 -0.33 -0.99 4.20 2.35 -1.20 -2.27 115.58 117.53 1xxj h ASN 62 Ca 0.22 0.05 0.18 0.00 -0.55 0.00 0.00 56.30 56.20 1xxj h ASN 62 Cb 0.29 0.14 -0.10 0.00 0.05 0.00 0.00 38.32 38.70 1xxj h ASN 62 CO -0.31 -0.17 0.61 0.74 -1.65 0.00 0.00 177.43 176.66 1xxj h THR 63 N -0.21 0.74 0.22 2.81 2.02 -0.13 0.27 112.91 118.64 1xxj h THR 63 Ca 0.03 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1xxj h THR 63 Cb 0.25 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1xxj h THR 63 CO -0.10 0.14 -0.11 0.40 0.37 0.00 0.00 175.52 176.22 1xxj h ILE 64 N 0.75 0.81 0.01 3.11 2.04 -0.62 0.10 117.51 123.72 1xxj h ILE 64 Ca 0.55 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 1xxj h ILE 64 Cb 0.88 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1xxj h ILE 64 CO -0.33 0.04 -0.01 1.88 0.00 0.00 0.00 178.15 179.73 1xxj h TYR 65 N -0.38 -0.02 -0.08 1.37 0.05 -1.07 0.72 116.97 117.57 1xxj h TYR 65 Ca -0.03 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.79 1xxj h TYR 65 Cb 0.29 0.01 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 1xxj h TYR 65 CO -0.04 0.02 -0.30 0.82 -1.05 0.00 0.00 178.16 177.61 1xxj h ILE 66 N -0.05 0.33 -0.66 -2.88 1.08 -0.90 -0.80 117.51 113.63 1xxj h ILE 66 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1xxj h ILE 66 Cb 0.04 0.33 -0.07 0.00 -3.07 0.00 0.00 36.82 34.06 1xxj h ILE 66 CO 0.00 0.00 0.30 0.74 -0.69 0.00 0.00 178.15 178.51 1xxj h THR 67 N -0.40 0.83 0.00 -0.27 2.02 -0.61 0.17 112.91 114.65 1xxj h THR 67 Ca 0.08 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1xxj h THR 67 Cb 0.53 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1xxj h THR 67 CO -0.30 0.10 -0.06 0.00 0.37 0.00 0.00 175.52 175.62 1xxj h ALA 68 N 1.41 1.19 0.19 6.16 0.00 -0.02 -1.91 119.26 126.28 1xxj h ALA 68 Ca 0.33 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 1xxj h ALA 68 Cb 0.36 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1xxj h ALA 68 CO -0.27 0.08 -1.20 -0.22 0.00 0.00 0.00 179.25 177.64 1xxj h LYS 69 N 0.00 0.40 0.00 0.00 1.63 0.70 -3.35 116.57 115.95 1xxj h LYS 69 Ca -0.00 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.11 1xxj h LYS 69 Cb 0.26 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1xxj h LYS 69 CO 0.01 1.33 -0.35 1.96 -3.45 0.00 0.00 179.45 178.95 1xxj h GLN 70 N -0.13 0.00 -5.42 1.90 4.20 -1.08 -3.47 115.11 111.11 1xxj h GLN 70 Ca -0.22 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.03 1xxj h GLN 70 Cb 1.90 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.54 1xxj h GLN 70 CO 0.20 0.00 -0.67 -0.80 -0.67 0.00 0.00 178.83 176.88 1xxj s ASN 71 N -5.20 2.56 0.42 1.46 0.01 -0.74 -5.10 114.94 108.35 1xxj s ASN 71 Ca 0.06 -1.19 -0.24 0.00 -0.71 0.00 0.00 52.86 50.79 1xxj s ASN 71 Cb 0.10 -0.13 -0.08 0.00 0.41 0.00 0.00 41.25 41.54 1xxj s ASN 71 CO 0.69 -0.37 1.10 -2.16 -1.51 0.00 0.00 177.10 174.85 1xxj s PRO 72 N -3.75 4.01 0.00 -0.60 0.04 -1.26 -4.67 135.00 128.76 1xxj s PRO 72 Ca 0.29 1.64 0.23 0.00 0.04 0.00 0.00 61.00 63.20 1xxj s PRO 72 Cb 0.04 -2.50 0.17 0.00 0.04 0.00 0.00 34.50 32.24 1xxj s PRO 72 CO 0.11 -0.31 1.22 1.33 0.04 0.00 0.00 177.00 179.39 1xxj n VAL 73 N -0.21 0.00 -4.44 -0.36 0.24 -1.26 -4.48 118.33 107.82 1xxj n VAL 73 Ca 0.06 -0.48 -0.20 0.00 -2.04 0.00 0.00 64.34 61.68 1xxj n VAL 73 Cb 0.49 1.46 -0.15 0.00 -1.47 0.00 0.00 33.84 34.17 1xxj n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xxj s THR 74 N -1.98 0.81 0.58 3.34 -1.32 -1.26 -3.85 115.64 111.96 1xxj s THR 74 Ca 0.26 -0.43 -0.14 0.00 -1.21 0.00 0.00 61.69 60.17 1xxj s THR 74 Cb 0.19 -0.69 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 1xxj s THR 74 CO 0.32 0.23 1.02 -2.16 -2.21 0.00 0.00 174.62 171.82 1xxj s PRO 75 N -0.17 3.58 0.29 7.08 0.04 -1.26 -4.85 135.00 139.71 1xxj s PRO 75 Ca 0.03 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1xxj s PRO 75 Cb -0.05 -2.08 0.60 0.00 0.04 0.00 0.00 34.50 33.02 1xxj s PRO 75 CO -0.00 -0.58 1.81 -1.00 0.04 0.00 0.00 177.00 177.27 1xxj h PRO 76 N 0.31 0.86 -0.78 0.56 0.13 -1.97 -1.01 132.00 130.10 1xxj h PRO 76 Ca -0.46 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.73 1xxj h PRO 76 Cb 1.20 -0.19 -0.08 0.00 0.13 0.00 0.00 31.00 32.06 1xxj h PRO 76 CO 0.60 0.57 0.40 0.93 -0.23 0.00 0.00 178.00 180.27 1xxj h GLU 77 N 0.89 0.64 0.22 0.86 3.07 -1.95 0.19 114.58 118.50 1xxj h GLU 77 Ca 0.52 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.33 1xxj h GLU 77 Cb 0.62 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1xxj h GLU 77 CO -0.31 0.42 -0.11 1.25 -1.40 0.00 0.00 179.01 178.86 1xxj h LEU 78 N 0.66 -0.25 -0.67 1.33 5.85 -1.65 -2.56 115.31 118.01 1xxj h LEU 78 Ca 0.39 -0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.99 1xxj h LEU 78 Cb 0.44 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 1xxj h LEU 78 CO -0.29 0.25 0.02 0.15 -0.34 0.00 0.00 178.44 178.23 1xxj h PHE 79 N -0.89 -0.02 -0.79 1.25 3.57 -0.95 0.13 116.94 119.24 1xxj h PHE 79 Ca -0.03 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1xxj h PHE 79 Cb 0.50 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1xxj h PHE 79 CO 0.06 -0.18 0.47 0.78 -2.23 0.00 0.00 178.31 177.22 1xxj h GLY 80 N 0.13 1.15 0.74 2.40 0.00 -0.70 -1.75 103.07 105.03 1xxj h GLY 80 Ca 0.36 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1xxj h GLY 80 CO -0.57 0.46 -0.04 1.76 0.00 0.00 0.00 176.54 178.16 1xxj h SER 81 N 1.09 0.26 -0.28 0.19 0.02 -0.39 -0.61 113.55 113.82 1xxj h SER 81 Ca 0.28 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1xxj h SER 81 Cb -0.04 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 1xxj h SER 81 CO -0.05 0.57 -0.08 0.40 -1.14 0.00 0.00 176.83 176.53 1xxj h ILE 82 N -0.07 0.69 -0.49 3.27 2.04 -0.70 0.16 117.51 122.42 1xxj h ILE 82 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1xxj h ILE 82 Cb 0.47 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1xxj h ILE 82 CO 0.01 0.00 0.17 0.25 0.00 0.00 0.00 178.15 178.58 1xxj h LEU 83 N -0.02 0.70 -0.50 1.44 5.85 -1.30 -1.33 115.31 120.14 1xxj h LEU 83 Ca 0.14 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1xxj h LEU 83 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1xxj h LEU 83 CO -0.30 0.71 -0.03 1.23 -0.34 0.00 0.00 178.44 179.71 1xxj h GLY 84 N 0.66 0.98 0.88 3.75 0.00 -0.75 -3.18 103.07 105.42 1xxj h GLY 84 Ca 0.16 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.76 1xxj h GLY 84 CO -0.01 0.69 0.16 -0.84 0.00 0.00 0.00 176.54 176.54 1xxj h THR 85 N 0.77 1.00 -0.35 4.70 2.02 -0.44 -2.93 112.91 117.68 1xxj h THR 85 Ca 0.14 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1xxj h THR 85 Cb 0.56 0.64 -0.09 0.00 -1.74 0.00 0.00 68.15 67.53 1xxj h THR 85 CO 0.03 0.06 -0.41 -0.74 0.37 0.00 0.00 175.52 174.83 1xxj h HIS 86 N 0.33 -1.18 -0.78 3.16 6.17 -1.23 -2.00 115.15 119.63 1xxj h HIS 86 Ca 0.12 0.06 0.06 0.00 0.71 0.00 0.00 60.37 61.33 1xxj h HIS 86 Cb 0.03 0.57 -0.06 0.00 2.52 0.00 0.00 27.41 30.46 1xxj h HIS 86 CO -0.09 -0.44 0.46 0.74 0.71 0.00 0.00 177.93 179.32 1xxj h PHE 87 N -0.34 0.85 0.00 5.26 0.04 -1.51 0.20 116.94 121.44 1xxj h PHE 87 Ca 0.13 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 1xxj h PHE 87 Cb 0.58 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1xxj h PHE 87 CO -0.58 0.41 -0.47 -0.84 -0.60 0.00 0.00 178.31 176.23 1xxj h ILE 88 N 0.84 1.18 0.05 -0.55 3.07 -1.39 -2.62 117.51 118.09 1xxj h ILE 88 Ca 0.35 -1.69 -0.27 0.00 1.55 0.00 0.00 64.86 64.79 1xxj h ILE 88 Cb 0.20 1.95 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 1xxj h ILE 88 CO -0.18 0.46 -1.39 -0.33 -1.05 0.00 0.00 178.15 175.66 1xxj h GLU 89 N 0.00 0.11 0.00 0.16 5.08 -1.02 -3.35 114.58 115.55 1xxj h GLU 89 Ca -0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1xxj h GLU 89 Cb 0.91 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1xxj h GLU 89 CO 0.06 0.93 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.52 1xxj h LYS 90 N 0.03 0.00 -4.55 2.33 1.63 -0.54 -3.44 116.57 112.02 1xxj h LYS 90 Ca -0.17 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.10 1xxj h LYS 90 Cb 1.93 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 33.22 1xxj h LYS 90 CO 0.13 0.15 -0.82 0.71 -3.45 0.00 0.00 179.45 176.18 1xxj s TYR 91 N -3.14 1.54 0.18 1.91 2.02 -0.99 -5.03 117.35 113.83 1xxj s TYR 91 Ca 0.05 -0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 56.09 1xxj s TYR 91 Cb 0.06 -1.14 0.09 0.00 -0.40 0.00 0.00 41.96 40.57 1xxj s TYR 91 CO 0.70 -0.32 1.52 -0.91 -1.57 0.00 0.00 175.55 174.97 1xxj h ASN 92 N 7.13 0.78 0.78 2.29 2.35 -1.86 -2.87 115.58 124.18 1xxj h ASN 92 Ca -0.30 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 1xxj h ASN 92 Cb 1.18 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1xxj h ASN 92 CO 0.47 1.10 0.00 0.00 -1.65 0.00 0.00 177.43 177.35 1xxj n HIS 93 N -4.03 0.00 -3.28 1.19 1.44 -1.26 -4.65 115.22 104.63 1xxj n HIS 93 Ca -0.02 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.27 1xxj n HIS 93 Cb 0.55 -0.40 -0.08 0.00 0.12 0.00 0.00 29.99 30.18 1xxj n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xxj s ILE 94 N -2.79 5.05 -0.11 0.61 -1.09 -1.09 -0.55 121.20 121.23 1xxj s ILE 94 Ca 0.21 0.16 0.12 0.00 -2.23 0.00 0.00 60.65 58.91 1xxj s ILE 94 Cb 0.19 -3.95 -0.16 0.00 -1.58 0.00 0.00 42.46 36.96 1xxj s ILE 94 CO 0.49 -0.23 0.08 1.41 -1.23 0.00 0.00 174.94 175.45 1xxj n HIS 95 N 5.66 0.00 -4.68 3.97 8.25 -0.75 -4.53 115.22 123.14 1xxj n HIS 95 Ca -0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 1xxj n HIS 95 Cb 0.49 -0.59 -0.15 0.00 1.12 0.00 0.00 29.99 30.86 1xxj n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xxj s ALA 96 N -2.39 1.36 -0.08 -1.41 0.00 -1.16 0.67 121.76 118.75 1xxj s ALA 96 Ca -0.06 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1xxj s ALA 96 Cb 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1xxj s ALA 96 CO 0.53 0.32 -0.08 0.00 0.00 0.00 0.00 175.76 176.52 1xxj s ALA 97 N -0.49 1.14 -0.22 0.00 0.00 0.56 -0.88 121.76 121.86 1xxj s ALA 97 Ca 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1xxj s ALA 97 Cb -0.07 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 1xxj s ALA 97 CO -0.00 -0.17 -0.04 -1.01 0.00 0.00 0.00 175.76 174.54 1xxj s HIS 98 N 1.23 2.97 -0.16 0.00 3.76 0.12 -0.80 115.29 122.41 1xxj s HIS 98 Ca -0.05 -0.99 0.01 0.00 -0.15 0.00 0.00 55.06 53.89 1xxj s HIS 98 Cb -0.14 -2.11 0.02 0.00 1.11 0.00 0.00 32.58 31.46 1xxj s HIS 98 CO -0.02 -0.56 -0.20 0.08 -0.85 0.00 0.00 174.74 173.18 1xxj s VAL 99 N 1.47 2.03 -0.08 -0.90 1.01 -0.47 0.18 120.40 123.64 1xxj s VAL 99 Ca 0.05 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1xxj s VAL 99 Cb -0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1xxj s VAL 99 CO -0.03 0.54 -0.08 0.21 0.00 0.00 0.00 175.10 175.74 1xxj s ASN 100 N 1.13 4.53 -0.02 3.32 2.47 0.19 -0.59 114.94 125.97 1xxj s ASN 100 Ca 0.01 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.21 1xxj s ASN 100 Cb -0.14 -1.22 0.02 0.00 -1.45 0.00 0.00 41.25 38.47 1xxj s ASN 100 CO -0.09 0.33 0.00 -0.63 -3.72 0.00 0.00 177.10 172.99 1xxj s ILE 101 N -0.60 0.14 -0.20 -5.21 1.01 0.74 -1.81 121.20 115.27 1xxj s ILE 101 Ca 0.09 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1xxj s ILE 101 Cb -0.12 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.16 1xxj s ILE 101 CO 0.02 0.12 -0.17 -0.69 0.00 0.00 0.00 174.94 174.21 1xxj s VAL 102 N 0.86 2.16 -0.26 2.92 1.01 -0.73 -1.02 120.40 125.35 1xxj s VAL 102 Ca -0.08 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 1xxj s VAL 102 Cb -0.12 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1xxj s VAL 102 CO -0.02 0.43 0.21 0.00 0.00 0.00 0.00 175.10 175.72 1xxj s HIS 104 N 1.51 3.44 -0.07 0.00 3.76 -0.21 -3.23 115.29 120.50 1xxj s HIS 104 Ca 0.09 1.08 -0.20 0.00 -0.15 0.00 0.00 55.06 55.88 1xxj s HIS 104 Cb -0.15 -2.45 -0.05 0.00 1.11 0.00 0.00 32.58 31.04 1xxj s HIS 104 CO 0.08 -0.03 0.56 1.03 -0.85 0.00 0.00 174.74 175.53 1xxj s ARG 105 N -3.55 4.33 -0.38 1.40 0.52 -1.26 -4.53 118.95 115.48 1xxj s ARG 105 Ca 0.52 0.62 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 1xxj s ARG 105 Cb -0.10 -3.40 0.14 0.00 0.52 0.00 0.00 34.95 32.11 1xxj s ARG 105 CO 0.27 0.23 0.22 -1.58 0.02 0.00 0.00 175.30 174.46 1xxj s TRP 106 N 0.31 1.12 -0.01 -0.53 0.23 -1.26 -4.25 118.94 114.55 1xxj s TRP 106 Ca 0.30 -1.86 -0.20 0.00 -2.03 0.00 0.00 56.10 52.31 1xxj s TRP 106 Cb -0.17 -1.23 -0.05 0.00 0.03 0.00 0.00 33.47 32.05 1xxj s TRP 106 CO 0.14 -0.82 0.56 0.99 0.96 0.00 0.00 176.95 178.79 1xxj s THR 107 N 0.87 4.95 0.04 2.01 2.01 0.11 -4.78 115.64 120.85 1xxj s THR 107 Ca 0.18 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 1xxj s THR 107 Cb -0.23 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 1xxj s THR 107 CO -0.00 0.43 1.71 -0.60 -0.69 0.00 0.00 174.62 175.47 1xxj s ARG 108 N -0.21 4.18 0.73 4.92 3.52 -1.26 0.37 118.95 131.20 1xxj s ARG 108 Ca 0.30 2.36 -0.15 0.00 -0.13 0.00 0.00 55.73 58.10 1xxj s ARG 108 Cb -0.18 -3.77 0.04 0.00 -1.56 0.00 0.00 34.95 29.48 1xxj s ARG 108 CO 0.16 -0.80 1.24 -1.64 -0.81 0.00 0.00 175.30 173.44 1xxj s MET 109 N 3.25 2.07 -0.30 5.12 -1.94 0.73 -4.86 119.30 123.35 1xxj s MET 109 Ca 0.76 1.86 0.03 0.00 -1.71 0.00 0.00 55.69 56.64 1xxj s MET 109 Cb -0.39 -1.81 0.08 0.00 2.01 0.00 0.00 34.83 34.71 1xxj s MET 109 CO 0.33 -1.92 -0.03 -0.51 -0.01 0.00 0.00 175.02 172.89 1xxj s ASP 110 N -1.87 4.63 -0.28 3.03 1.01 -1.26 -1.70 116.67 120.23 1xxj s ASP 110 Ca 0.77 -1.75 -0.09 0.00 0.71 0.00 0.00 52.55 52.19 1xxj s ASP 110 Cb -0.32 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.99 1xxj s ASP 110 CO 0.46 -0.29 0.12 -0.63 0.21 0.00 0.00 175.17 175.03 1xxj s ILE 111 N 1.02 4.51 -1.03 0.77 1.01 0.24 -4.41 121.20 123.31 1xxj s ILE 111 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1xxj s ILE 111 Cb -0.20 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1xxj s ILE 111 CO -0.06 0.20 0.54 0.47 0.00 0.00 0.00 174.94 176.09 1xxj n ASP 112 N 4.96 -4.81 0.00 3.58 8.00 -1.26 -2.51 116.55 124.51 1xxj n ASP 112 Ca -0.15 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1xxj n ASP 112 Cb 0.50 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 1xxj n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xxj n GLY 113 N -1.37 1.88 3.64 0.44 0.00 -1.26 -5.01 105.19 103.52 1xxj n GLY 113 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1xxj n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxj s LYS 114 N -0.04 2.41 -0.60 1.61 1.02 -1.04 -5.06 119.74 118.03 1xxj s LYS 114 Ca 0.00 -0.88 -0.28 0.00 0.02 0.00 0.00 55.97 54.83 1xxj s LYS 114 Cb 0.00 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1xxj s LYS 114 CO 0.00 0.54 1.31 -2.14 -0.92 0.00 0.00 175.35 174.14 1xxj s PRO 115 N -2.13 3.35 0.52 -1.68 0.02 -1.26 -0.59 135.00 133.23 1xxj s PRO 115 Ca 0.23 0.24 -0.22 0.00 0.02 0.00 0.00 61.00 61.27 1xxj s PRO 115 Cb -0.11 -4.10 -0.06 0.00 0.02 0.00 0.00 34.50 30.24 1xxj s PRO 115 CO 0.15 -1.90 1.18 1.58 -0.33 0.00 0.00 177.00 177.68 1xxj n HIS 116 N 9.16 1.67 0.16 6.54 -0.00 -0.69 -4.93 115.22 127.13 1xxj n HIS 116 Ca 0.09 0.46 0.04 0.00 0.46 0.00 0.00 57.72 58.78 1xxj n HIS 116 Cb 0.49 -2.28 0.14 0.00 -0.12 0.00 0.00 29.99 28.22 1xxj n HIS 116 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xxj h PRO 117 N 1.27 0.00 -0.11 1.57 0.13 -1.93 -3.40 132.00 129.53 1xxj h PRO 117 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 1xxj h PRO 117 Cb 1.33 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.19 1xxj h PRO 117 CO 0.56 0.43 -0.69 -2.39 -0.23 0.00 0.00 178.00 175.67 1xxj n HIS 118 N -3.29 -0.18 -3.85 1.56 1.44 -1.26 -0.72 115.22 108.92 1xxj n HIS 118 Ca 0.01 -1.20 -0.24 0.00 -2.01 0.00 0.00 57.72 54.28 1xxj n HIS 118 Cb 0.65 0.40 -0.17 0.00 0.12 0.00 0.00 29.99 30.99 1xxj n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1xxj s SER 119 N -1.99 1.78 0.26 4.39 0.01 -1.26 -5.06 113.70 111.82 1xxj s SER 119 Ca 0.18 -0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.36 1xxj s SER 119 Cb 0.29 -0.59 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1xxj s SER 119 CO -0.09 -0.16 -0.15 -0.36 0.41 0.00 0.00 173.24 172.90 1xxj s PHE 120 N 1.81 2.05 0.03 2.43 0.40 -1.26 -0.19 117.98 123.24 1xxj s PHE 120 Ca 0.04 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1xxj s PHE 120 Cb -0.12 -0.98 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1xxj s PHE 120 CO -0.06 0.51 -0.10 -1.50 0.70 0.00 0.00 175.22 174.78 1xxj s ILE 121 N -2.76 0.72 -0.77 0.64 2.07 0.16 -4.82 121.20 116.44 1xxj s ILE 121 Ca 0.27 -0.85 -0.21 0.00 -1.41 0.00 0.00 60.65 58.46 1xxj s ILE 121 Cb -0.01 -0.70 0.09 0.00 0.13 0.00 0.00 42.46 41.97 1xxj s ILE 121 CO 0.12 -0.12 1.03 -0.60 -1.91 0.00 0.00 174.94 173.46 1xxj s ARG 122 N -1.07 3.30 -0.16 3.50 6.06 -1.26 0.04 118.95 129.36 1xxj s ARG 122 Ca -0.03 -1.20 0.07 0.00 -2.50 0.00 0.00 55.73 52.07 1xxj s ARG 122 Cb -0.07 -4.52 0.44 0.00 0.06 0.00 0.00 34.95 30.86 1xxj s ARG 122 CO 0.01 -1.81 1.27 -0.40 -2.50 0.00 0.00 175.30 171.87 1xxj n ASP 123 N 7.28 3.60 0.00 -2.12 5.75 -1.26 -4.89 116.55 124.91 1xxj n ASP 123 Ca 0.07 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 1xxj n ASP 123 Cb 0.47 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1xxj n ASP 123 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1xxj n SER 124 N 0.18 0.00 -0.91 -1.12 2.88 -1.26 -4.96 113.62 108.43 1xxj n SER 124 Ca 0.19 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.81 1xxj n SER 124 Cb 0.86 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.54 1xxj n SER 124 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1xxj n GLU 125 N -0.46 2.18 -2.08 -1.46 4.07 -1.26 -4.61 120.64 117.02 1xxj n GLU 125 Ca 0.00 -1.73 -0.41 0.00 -0.06 0.00 0.00 57.16 54.96 1xxj n GLU 125 Cb 0.00 -1.41 -0.02 0.00 -0.06 0.00 0.00 31.44 29.95 1xxj n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1xxj s GLU 126 N -1.41 4.32 0.25 5.31 2.12 -1.23 -4.82 118.70 123.24 1xxj s GLU 126 Ca 0.32 2.23 0.10 0.00 0.36 0.00 0.00 54.97 57.98 1xxj s GLU 126 Cb 0.17 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1xxj s GLU 126 CO 0.21 -0.32 -0.08 0.15 -0.54 0.00 0.00 175.26 174.68 1xxj s LYS 127 N -0.74 2.05 -0.09 4.30 -0.14 -0.42 -4.42 119.74 120.27 1xxj s LYS 127 Ca 0.56 -1.49 0.02 0.00 -1.36 0.00 0.00 55.97 53.70 1xxj s LYS 127 Cb -0.40 -2.04 0.01 0.00 -1.68 0.00 0.00 37.83 33.72 1xxj s LYS 127 CO 0.45 0.37 -0.16 0.50 -0.76 0.00 0.00 175.35 175.76 1xxj s ARG 128 N -3.42 2.19 0.31 1.68 3.52 -1.20 -1.77 118.95 120.27 1xxj s ARG 128 Ca 0.29 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1xxj s ARG 128 Cb -0.07 -1.80 -0.06 0.00 -1.56 0.00 0.00 34.95 31.47 1xxj s ARG 128 CO 0.17 0.00 0.08 -0.80 -0.81 0.00 0.00 175.30 173.94 1xxj s ASN 129 N 0.79 2.07 -0.17 -2.12 -0.87 -0.25 -0.87 114.94 113.52 1xxj s ASN 129 Ca -0.11 -1.41 -0.16 0.00 -1.57 0.00 0.00 52.86 49.61 1xxj s ASN 129 Cb -0.16 0.05 0.05 0.00 -0.02 0.00 0.00 41.25 41.17 1xxj s ASN 129 CO 0.02 -0.68 0.46 0.68 -2.57 0.00 0.00 177.10 175.01 1xxj s VAL 130 N -3.42 -0.00 -0.23 1.60 -7.23 -0.19 -1.65 120.40 109.28 1xxj s VAL 130 Ca 0.36 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1xxj s VAL 130 Cb 0.08 -0.64 0.05 0.00 0.56 0.00 0.00 36.38 36.43 1xxj s VAL 130 CO 0.15 0.00 -0.10 -1.58 -0.31 0.00 0.00 175.10 173.26 1xxj s GLN 131 N 0.30 2.11 -0.16 4.82 -0.44 -0.57 -0.19 119.66 125.53 1xxj s GLN 131 Ca -0.00 -1.06 -0.00 0.00 -2.50 0.00 0.00 55.36 51.79 1xxj s GLN 131 Cb -0.03 -2.64 -0.00 0.00 -1.64 0.00 0.00 33.01 28.69 1xxj s GLN 131 CO -0.00 -0.50 -0.14 0.08 0.50 0.00 0.00 175.29 175.23 1xxj s VAL 132 N 1.28 2.77 -0.28 1.34 1.01 0.24 -0.51 120.40 126.24 1xxj s VAL 132 Ca -0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1xxj s VAL 132 Cb -0.18 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1xxj s VAL 132 CO -0.07 0.51 0.01 -1.81 0.00 0.00 0.00 175.10 173.73 1xxj s ASP 133 N 0.82 4.74 -0.39 3.32 1.01 0.31 -1.36 116.67 125.12 1xxj s ASP 133 Ca -0.05 -0.91 -0.10 0.00 0.71 0.00 0.00 52.55 52.21 1xxj s ASP 133 Cb -0.15 -1.75 0.05 0.00 1.01 0.00 0.00 42.92 42.07 1xxj s ASP 133 CO 0.00 -0.18 0.21 -0.69 0.21 0.00 0.00 175.17 174.72 1xxj s VAL 134 N 1.37 4.38 -0.02 -1.27 1.01 0.02 0.09 120.40 125.98 1xxj s VAL 134 Ca -0.00 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1xxj s VAL 134 Cb -0.18 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1xxj s VAL 134 CO -0.01 -0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 173.97 1xxj s VAL 135 N 1.50 3.33 0.07 2.92 1.01 -0.99 -0.32 120.40 127.92 1xxj s VAL 135 Ca 0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1xxj s VAL 135 Cb -0.20 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 1xxj s VAL 135 CO 0.05 0.48 1.86 -0.70 0.00 0.00 0.00 175.10 176.79 1xxj s GLU 136 N -1.11 4.15 -1.45 2.72 2.12 0.21 -2.54 118.70 122.81 1xxj s GLU 136 Ca 0.14 2.55 -0.08 0.00 0.36 0.00 0.00 54.97 57.94 1xxj s GLU 136 Cb -0.11 -3.88 0.04 0.00 0.26 0.00 0.00 34.13 30.44 1xxj s GLU 136 CO 0.04 -0.88 0.69 0.41 -0.54 0.00 0.00 175.26 174.98 1xxj n GLY 137 N 4.34 -0.51 0.00 -1.50 0.00 -1.26 -4.78 105.19 101.49 1xxj n GLY 137 Ca 0.18 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1xxj n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xxj n LYS 138 N -4.14 0.00 0.00 1.61 4.76 -1.05 -5.15 118.16 114.18 1xxj n LYS 138 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1xxj n LYS 138 Cb 0.57 -0.39 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 1xxj n LYS 138 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxj n GLY 139 N 0.00 -2.13 3.52 0.72 0.00 -1.21 -4.85 105.19 101.25 1xxj n GLY 139 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 1xxj n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxj s ILE 140 N -0.14 4.60 -0.25 -0.61 1.01 0.18 -2.34 121.20 123.65 1xxj s ILE 140 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1xxj s ILE 140 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1xxj s ILE 140 CO 0.00 0.36 0.13 -1.81 0.00 0.00 0.00 174.94 173.61 1xxj s ASP 141 N 1.30 5.67 -0.13 3.58 1.01 0.11 -1.87 116.67 126.34 1xxj s ASP 141 Ca 0.05 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.28 1xxj s ASP 141 Cb -0.15 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.77 1xxj s ASP 141 CO 0.04 -0.00 -0.20 -0.63 0.21 0.00 0.00 175.17 174.60 1xxj s ILE 142 N 1.44 1.87 -0.25 0.77 1.01 -1.26 0.11 121.20 124.89 1xxj s ILE 142 Ca 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1xxj s ILE 142 Cb -0.15 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1xxj s ILE 142 CO 0.06 0.51 -0.04 -0.54 0.00 0.00 0.00 174.94 174.94 1xxj s LYS 143 N 0.90 3.00 0.07 2.79 1.02 0.33 -1.53 119.74 126.32 1xxj s LYS 143 Ca -0.06 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.06 1xxj s LYS 143 Cb -0.15 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1xxj s LYS 143 CO -0.02 -0.36 0.15 -1.12 -0.92 0.00 0.00 175.35 173.08 1xxj s SER 144 N 1.39 6.02 0.27 2.83 0.01 -0.70 -1.51 113.70 122.01 1xxj s SER 144 Ca 0.02 0.16 -0.20 0.00 1.31 0.00 0.00 55.95 57.24 1xxj s SER 144 Cb -0.16 -1.76 0.02 0.00 0.21 0.00 0.00 66.02 64.32 1xxj s SER 144 CO -0.03 0.17 0.69 -0.94 0.41 0.00 0.00 173.24 173.54 1xxj s SER 145 N -2.44 -0.24 0.15 2.44 1.04 -0.66 -0.33 113.70 113.66 1xxj s SER 145 Ca 0.32 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1xxj s SER 145 Cb -0.13 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1xxj s SER 145 CO 0.25 -1.32 -0.10 -1.48 0.98 0.00 0.00 173.24 171.58 1xxj s LEU 146 N -2.93 2.51 0.07 2.42 0.05 -0.33 -1.08 118.68 119.39 1xxj s LEU 146 Ca 0.12 -1.02 -0.27 0.00 0.05 0.00 0.00 54.13 53.01 1xxj s LEU 146 Cb -0.05 -0.33 0.08 0.00 -2.05 0.00 0.00 46.19 43.84 1xxj s LEU 146 CO 0.07 -0.34 0.85 -0.94 -0.55 0.00 0.00 176.35 175.44 1xxj s SER 147 N -3.17 -0.34 -1.21 1.48 1.04 -0.73 -2.01 113.70 108.77 1xxj s SER 147 Ca 0.17 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.45 1xxj s SER 147 Cb 0.03 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1xxj s SER 147 CO 0.01 -0.78 0.21 0.61 0.98 0.00 0.00 173.24 174.27 1xxj n GLY 148 N -0.33 -0.22 3.22 7.32 0.00 -1.11 -1.30 105.19 112.78 1xxj n GLY 148 Ca -0.09 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1xxj n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xxj s LEU 149 N -4.61 5.79 -0.26 0.99 2.96 -1.24 -3.52 118.68 118.79 1xxj s LEU 149 Ca 0.10 -1.95 -0.18 0.00 -0.22 0.00 0.00 54.13 51.88 1xxj s LEU 149 Cb -0.05 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1xxj s LEU 149 CO 0.13 -0.70 0.52 -0.89 -1.32 0.00 0.00 176.35 174.08 1xxj s THR 150 N 1.31 5.07 0.23 3.68 2.01 -1.26 0.64 115.64 127.32 1xxj s THR 150 Ca 0.06 0.90 0.04 0.00 0.31 0.00 0.00 61.69 63.00 1xxj s THR 150 Cb -0.26 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1xxj s THR 150 CO -0.01 0.09 -0.03 0.68 -0.69 0.00 0.00 174.62 174.67 1xxj s VAL 151 N 2.26 1.17 -0.10 3.82 -7.23 -0.68 -5.01 120.40 114.64 1xxj s VAL 151 Ca 0.22 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 1xxj s VAL 151 Cb -0.16 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.53 1xxj s VAL 151 CO 0.09 -0.38 0.46 -0.22 -0.31 0.00 0.00 175.10 174.74 1xxj s LEU 152 N -3.31 0.26 -0.05 1.32 0.20 -1.26 -1.83 118.68 114.01 1xxj s LEU 152 Ca 0.27 0.60 0.02 0.00 0.69 0.00 0.00 54.13 55.71 1xxj s LEU 152 Cb 0.05 1.68 0.02 0.00 -0.43 0.00 0.00 46.19 47.50 1xxj s LEU 152 CO 0.08 -0.35 -0.08 -1.59 -0.29 0.00 0.00 176.35 174.12 1xxj s LYS 153 N -0.58 1.17 0.00 1.98 -2.85 0.19 -5.00 119.74 114.64 1xxj s LYS 153 Ca -0.07 -0.24 0.31 0.00 -1.00 0.00 0.00 55.97 54.96 1xxj s LYS 153 Cb -0.03 -1.05 1.63 0.00 -2.06 0.00 0.00 37.83 36.32 1xxj s LYS 153 CO 0.04 -0.01 2.09 -1.13 0.10 0.00 0.00 175.35 176.43 1xxj n SER 154 N 3.85 0.14 -2.42 0.03 3.41 -1.26 -1.51 113.62 115.86 1xxj n SER 154 Ca -0.24 -0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 57.71 1xxj n SER 154 Cb 0.52 -0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1xxj n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1xxj n THR 155 N -1.05 0.00 -3.30 6.66 5.66 -1.26 -4.46 114.28 116.54 1xxj n THR 155 Ca 0.19 -0.37 -0.17 0.00 -3.05 0.00 0.00 64.05 60.64 1xxj n THR 155 Cb 0.19 0.50 0.06 0.00 -1.55 0.00 0.00 70.33 69.54 1xxj n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xxj n ASN 156 N -1.05 -4.53 -3.74 1.09 4.13 -1.26 -4.91 115.26 104.99 1xxj n ASN 156 Ca -0.02 -0.44 -0.12 0.00 1.68 0.00 0.00 54.58 55.68 1xxj n ASN 156 Cb 0.37 -4.09 -0.12 0.00 -1.54 0.00 0.00 39.78 34.40 1xxj n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xxj s SER 157 N -3.47 -0.32 0.19 6.41 0.15 -1.26 -3.16 113.70 112.24 1xxj s SER 157 Ca 0.34 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.61 1xxj s SER 157 Cb -0.15 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1xxj s SER 157 CO 0.57 -0.14 0.01 -1.10 1.20 0.00 0.00 173.24 173.78 1xxj s GLN 158 N 0.85 1.17 -0.29 5.44 -0.21 0.85 -0.80 119.66 126.67 1xxj s GLN 158 Ca -0.06 -1.57 0.03 0.00 0.02 0.00 0.00 55.36 53.78 1xxj s GLN 158 Cb -0.07 -0.32 0.19 0.00 1.00 0.00 0.00 33.01 33.81 1xxj s GLN 158 CO -0.06 -0.13 0.55 0.12 -2.12 0.00 0.00 175.29 173.65 1xxj s PHE 159 N -3.62 -1.60 0.36 0.91 5.36 -0.68 -4.16 117.98 114.54 1xxj s PHE 159 Ca 0.26 1.16 -0.08 0.00 -0.96 0.00 0.00 56.93 57.30 1xxj s PHE 159 Cb 0.06 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 43.08 1xxj s PHE 159 CO 0.05 -0.99 0.62 1.67 -1.46 0.00 0.00 175.22 175.11 1xxj s TRP 160 N 2.78 0.64 0.00 10.12 1.48 -1.26 -1.44 118.94 131.27 1xxj s TRP 160 Ca 0.13 -1.07 0.00 0.00 -1.06 0.00 0.00 56.10 54.10 1xxj s TRP 160 Cb -0.12 0.33 0.00 0.00 -1.16 0.00 0.00 33.47 32.52 1xxj s TRP 160 CO -0.24 -1.33 0.00 0.41 -4.06 0.00 0.00 176.95 171.72 1xxj n GLY 161 N -0.55 0.49 3.66 3.67 0.00 -1.26 -4.98 105.19 106.21 1xxj n GLY 161 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1xxj n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xxj s PHE 162 N -2.36 1.72 0.29 1.61 -0.71 -1.26 -4.95 117.98 112.32 1xxj s PHE 162 Ca 0.00 0.85 -0.29 0.00 -1.04 0.00 0.00 56.93 56.45 1xxj s PHE 162 Cb 0.00 -3.32 -0.10 0.00 -1.21 0.00 0.00 43.02 38.39 1xxj s PHE 162 CO 0.00 -3.15 1.33 -1.17 -1.34 0.00 0.00 175.22 170.89 1xxj s LEU 163 N -6.58 4.42 -0.08 -1.99 0.20 -1.26 -5.02 118.68 108.37 1xxj s LEU 163 Ca 0.67 2.63 0.02 0.00 0.69 0.00 0.00 54.13 58.14 1xxj s LEU 163 Cb -0.16 -3.64 0.01 0.00 -0.43 0.00 0.00 46.19 41.97 1xxj s LEU 163 CO 0.57 -0.56 -0.13 -0.13 -0.29 0.00 0.00 176.35 175.82 1xxj s ARG 164 N -1.25 1.84 0.00 1.98 0.52 -1.26 -4.97 118.95 115.82 1xxj s ARG 164 Ca 0.52 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 1xxj s ARG 164 Cb -0.39 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1xxj s ARG 164 CO 0.48 -0.01 0.00 -0.40 0.02 0.00 0.00 175.30 175.40 1xxj n ASP 165 N 3.96 0.00 0.00 0.23 5.75 -1.26 -4.98 116.55 120.25 1xxj n ASP 165 Ca -0.21 -0.69 0.03 0.00 -0.01 0.00 0.00 54.79 53.92 1xxj n ASP 165 Cb 0.52 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.78 1xxj n ASP 165 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1xxj n GLU 166 N 0.00 0.08 0.00 0.11 0.00 -1.26 -1.10 120.64 118.48 1xxj n GLU 166 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 57.16 57.49 1xxj n GLU 166 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.90 1xxj n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1xxj n TYR 167 N -1.32 0.00 -3.32 -1.84 4.01 -1.26 -4.98 117.16 108.45 1xxj n TYR 167 Ca 0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.39 1xxj n TYR 167 Cb 0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 1xxj n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xxj s THR 168 N -2.28 5.15 0.00 -0.72 2.01 -0.26 -4.91 115.64 114.63 1xxj s THR 168 Ca 0.11 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.08 1xxj s THR 168 Cb 0.13 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1xxj s THR 168 CO 0.55 0.36 0.02 0.35 -0.69 0.00 0.00 174.62 175.21 1xxj n THR 169 N 3.42 0.00 -2.15 -0.82 -2.24 -1.26 -4.76 114.28 106.47 1xxj n THR 169 Ca -0.08 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1xxj n THR 169 Cb 0.52 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1xxj n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xxj s LEU 170 N -0.44 4.28 0.09 3.22 2.96 -1.26 -4.99 118.68 122.55 1xxj s LEU 170 Ca 0.00 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.68 1xxj s LEU 170 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.10 1xxj s LEU 170 CO 0.00 -0.85 1.02 -0.54 -1.32 0.00 0.00 176.35 174.65 1xxj s LYS 171 N 3.66 4.62 0.59 1.98 1.02 -1.26 -5.00 119.74 125.35 1xxj s LYS 171 Ca 0.67 1.53 -0.20 0.00 0.02 0.00 0.00 55.97 57.99 1xxj s LYS 171 Cb -0.30 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1xxj s LYS 171 CO 0.25 0.08 1.24 0.39 -0.92 0.00 0.00 175.35 176.39 1xxj n GLU 172 N 3.06 1.31 -3.89 1.68 1.02 -1.26 -5.01 120.64 117.55 1xxj n GLU 172 Ca 0.04 0.49 -0.11 0.00 -0.02 0.00 0.00 57.16 57.56 1xxj n GLU 172 Cb 0.49 -2.45 -0.12 0.00 -0.02 0.00 0.00 31.44 29.34 1xxj n GLU 172 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1xxj s THR 173 N -1.37 0.06 -1.03 2.62 -1.32 -0.52 -5.00 115.64 109.07 1xxj s THR 173 Ca 0.76 -0.47 0.09 0.00 -1.21 0.00 0.00 61.69 60.86 1xxj s THR 173 Cb -0.41 -0.26 0.09 0.00 -1.51 0.00 0.00 72.50 70.41 1xxj s THR 173 CO 0.46 -0.26 0.82 0.79 -2.21 0.00 0.00 174.62 174.22 1xxj n TRP 174 N 2.15 0.04 -3.65 9.09 8.01 -1.26 -1.69 117.44 130.12 1xxj n TRP 174 Ca -0.19 -0.06 -0.04 0.00 -1.31 0.00 0.00 57.50 55.90 1xxj n TRP 174 Cb 0.57 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.80 1xxj n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1xxj s ASP 175 N -0.75 -0.77 0.15 -0.99 2.15 -1.23 -4.52 116.67 110.71 1xxj s ASP 175 Ca 0.11 1.33 -0.13 0.00 0.43 0.00 0.00 52.55 54.28 1xxj s ASP 175 Cb 0.07 1.87 0.02 0.00 -0.30 0.00 0.00 42.92 44.58 1xxj s ASP 175 CO 0.11 -0.22 0.37 0.00 -0.17 0.00 0.00 175.17 175.25 1xxj s ARG 176 N 2.73 1.14 0.44 4.34 1.70 0.02 -4.98 118.95 124.33 1xxj s ARG 176 Ca -0.04 -0.91 -0.22 0.00 -0.47 0.00 0.00 55.73 54.08 1xxj s ARG 176 Cb -0.12 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 1xxj s ARG 176 CO -0.16 -0.44 1.04 0.42 -1.08 0.00 0.00 175.30 175.08 1xxj s ILE 177 N -3.87 3.76 -0.04 4.99 1.01 -1.26 -4.06 121.20 121.72 1xxj s ILE 177 Ca 0.09 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.96 1xxj s ILE 177 Cb 0.02 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.94 1xxj s ILE 177 CO -0.06 -0.11 -0.02 -0.22 0.00 0.00 0.00 174.94 174.52 1xxj s LEU 178 N -3.04 1.15 -0.13 2.97 2.96 -0.57 -4.84 118.68 117.18 1xxj s LEU 178 Ca 0.62 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1xxj s LEU 178 Cb -0.19 -0.36 0.05 0.00 0.50 0.00 0.00 46.19 46.19 1xxj s LEU 178 CO 0.24 -0.09 0.31 -0.55 -1.32 0.00 0.00 176.35 174.94 1xxj s SER 179 N 1.11 -0.36 0.26 3.68 0.15 -1.26 -0.64 113.70 116.64 1xxj s SER 179 Ca -0.08 0.66 -0.08 0.00 0.70 0.00 0.00 55.95 57.15 1xxj s SER 179 Cb -0.14 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1xxj s SER 179 CO -0.01 -0.17 0.41 0.28 1.20 0.00 0.00 173.24 174.95 1xxj s THR 180 N 1.15 0.00 -0.20 6.45 -1.32 -0.76 -0.19 115.64 120.77 1xxj s THR 180 Ca -0.08 -1.56 -0.02 0.00 -1.21 0.00 0.00 61.69 58.82 1xxj s THR 180 Cb -0.09 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 1xxj s THR 180 CO -0.09 0.00 -0.11 -1.81 -2.21 0.00 0.00 174.62 170.40 1xxj s ASP 181 N -3.09 3.82 -0.10 8.08 1.01 -1.25 -1.68 116.67 123.46 1xxj s ASP 181 Ca 0.27 -0.49 -0.25 0.00 0.71 0.00 0.00 52.55 52.80 1xxj s ASP 181 Cb 0.01 -1.63 -0.03 0.00 1.01 0.00 0.00 42.92 42.28 1xxj s ASP 181 CO 0.12 0.00 0.78 -0.69 0.21 0.00 0.00 175.17 175.59 1xxj s VAL 182 N 1.32 4.97 -0.21 -1.27 1.01 0.21 -4.07 120.40 122.36 1xxj s VAL 182 Ca 0.04 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.60 1xxj s VAL 182 Cb -0.14 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.18 1xxj s VAL 182 CO -0.06 0.15 -0.11 -0.62 0.00 0.00 0.00 175.10 174.46 1xxj s ASP 183 N 0.97 3.53 -0.04 3.32 -1.08 -1.08 -2.74 116.67 119.55 1xxj s ASP 183 Ca 0.39 -0.94 0.01 0.00 -0.52 0.00 0.00 52.55 51.49 1xxj s ASP 183 Cb -0.18 -1.31 0.02 0.00 -1.46 0.00 0.00 42.92 39.99 1xxj s ASP 183 CO 0.17 -0.14 -0.06 0.00 0.52 0.00 0.00 175.17 175.66 1xxj s ALA 184 N 1.34 0.77 -0.04 3.66 0.00 -0.85 -0.78 121.76 125.86 1xxj s ALA 184 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1xxj s ALA 184 Cb -0.16 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1xxj s ALA 184 CO -0.08 0.04 -0.08 0.99 0.00 0.00 0.00 175.76 176.63 1xxj s THR 185 N 0.73 0.78 -0.17 0.00 2.01 0.17 -1.19 115.64 117.96 1xxj s THR 185 Ca -0.11 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1xxj s THR 185 Cb -0.13 -0.73 0.03 0.00 0.01 0.00 0.00 72.50 71.68 1xxj s THR 185 CO 0.01 0.26 -0.14 -1.66 -0.69 0.00 0.00 174.62 172.40 1xxj s TRP 186 N 0.56 2.40 -0.21 4.92 -2.14 0.55 0.16 118.94 125.18 1xxj s TRP 186 Ca -0.09 -1.46 -0.22 0.00 2.66 0.00 0.00 56.10 56.99 1xxj s TRP 186 Cb -0.12 -1.68 -0.02 0.00 -3.10 0.00 0.00 33.47 28.54 1xxj s TRP 186 CO 0.01 -0.73 0.69 -1.14 -2.66 0.00 0.00 176.95 173.12 1xxj s GLN 187 N 1.41 4.20 0.55 3.25 0.74 -0.42 -1.72 119.66 127.67 1xxj s GLN 187 Ca 0.03 0.71 -0.16 0.00 0.05 0.00 0.00 55.36 55.99 1xxj s GLN 187 Cb -0.14 -3.60 -0.06 0.00 1.10 0.00 0.00 33.01 30.31 1xxj s GLN 187 CO -0.10 -0.33 1.01 -1.58 -0.55 0.00 0.00 175.29 173.75 1xxj s TRP 188 N 2.19 3.30 0.64 1.67 0.52 -0.58 -0.39 118.94 126.30 1xxj s TRP 188 Ca 0.31 1.47 -0.18 0.00 0.02 0.00 0.00 56.10 57.71 1xxj s TRP 188 Cb -0.16 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.29 1xxj s TRP 188 CO 0.10 -0.66 1.26 1.17 0.02 0.00 0.00 176.95 178.84 1xxj n LYS 189 N -1.86 1.11 -0.97 4.98 4.81 0.21 -4.60 118.16 121.84 1xxj n LYS 189 Ca 0.07 0.43 -0.33 0.00 -0.87 0.00 0.00 58.31 57.62 1xxj n LYS 189 Cb 0.54 -2.49 0.14 0.00 0.02 0.00 0.00 35.03 33.23 1xxj n LYS 189 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1xxj s ASN 190 N -1.35 3.35 -0.07 3.14 3.84 -1.26 -4.81 114.94 117.77 1xxj s ASN 190 Ca 0.82 2.32 0.03 0.00 0.21 0.00 0.00 52.86 56.24 1xxj s ASN 190 Cb -0.39 -2.58 0.01 0.00 -0.55 0.00 0.00 41.25 37.74 1xxj s ASN 190 CO 0.41 -2.83 -0.16 -0.36 -2.79 0.00 0.00 177.10 171.38 1xxj s PHE 191 N -2.30 1.75 0.20 0.43 0.08 -0.78 -4.97 117.98 112.39 1xxj s PHE 191 Ca 0.71 -0.65 -0.12 0.00 0.12 0.00 0.00 56.93 56.99 1xxj s PHE 191 Cb -0.27 -1.23 0.25 0.00 -0.57 0.00 0.00 43.02 41.19 1xxj s PHE 191 CO 0.53 -0.30 1.67 0.66 -0.10 0.00 0.00 175.22 177.68 1xxj h SER 192 N 6.81 -0.27 -0.17 1.36 4.64 -1.92 0.50 113.55 124.50 1xxj h SER 192 Ca -0.28 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1xxj h SER 192 Cb 1.20 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1xxj h SER 192 CO 0.47 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1xxj n GLY 193 N -1.35 0.72 0.43 -0.77 0.00 -1.26 -4.06 105.19 98.90 1xxj n GLY 193 Ca 0.07 -0.82 0.23 0.00 0.00 0.00 0.00 46.02 45.51 1xxj n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xxj h LEU 194 N 0.00 0.23 -0.16 0.99 6.46 -1.94 -2.12 115.31 118.79 1xxj h LEU 194 Ca 0.00 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1xxj h LEU 194 Cb 0.00 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1xxj h LEU 194 CO 0.00 0.08 -0.06 -0.61 -0.62 0.00 0.00 178.44 177.23 1xxj h GLN 195 N 0.23 0.32 -0.58 1.25 4.15 -1.99 -1.05 115.11 117.44 1xxj h GLN 195 Ca 0.46 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.72 1xxj h GLN 195 Cb 1.43 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1xxj h GLN 195 CO -0.11 0.62 0.26 1.49 -1.93 0.00 0.00 178.83 179.16 1xxj h GLU 196 N 0.00 0.83 0.09 1.69 4.81 -1.80 -1.25 114.58 118.96 1xxj h GLU 196 Ca 0.04 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xxj h GLU 196 Cb 0.51 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1xxj h GLU 196 CO 0.02 0.66 -0.04 0.28 -0.73 0.00 0.00 179.01 179.19 1xxj h VAL 197 N 0.82 1.00 -0.78 0.32 2.07 -1.24 -2.58 116.25 115.86 1xxj h VAL 197 Ca 0.20 -0.33 0.13 0.00 0.82 0.00 0.00 66.70 67.52 1xxj h VAL 197 Cb 0.12 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1xxj h VAL 197 CO -0.02 0.08 0.52 0.03 0.02 0.00 0.00 177.57 178.19 1xxj h ARG 198 N -0.27 0.54 0.00 1.57 3.08 -0.76 0.23 114.38 118.77 1xxj h ARG 198 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1xxj h ARG 198 Cb 0.23 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1xxj h ARG 198 CO 0.02 0.36 -0.13 0.66 -1.07 0.00 0.00 179.97 179.81 1xxj h SER 199 N 0.56 0.00 -0.02 7.04 4.64 -0.85 -3.02 113.55 121.90 1xxj h SER 199 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1xxj h SER 199 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1xxj h SER 199 CO -0.14 0.13 -0.15 1.41 -0.87 0.00 0.00 176.83 177.20 1xxj n HIS 200 N -3.63 0.00 -0.22 4.77 8.25 0.01 -4.74 115.22 119.65 1xxj n HIS 200 Ca -0.02 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.66 1xxj n HIS 200 Cb 0.25 0.00 0.39 0.00 1.12 0.00 0.00 29.99 31.75 1xxj n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xxj n VAL 201 N 0.47 -0.25 0.22 1.59 0.31 -0.82 0.92 118.33 120.77 1xxj n VAL 201 Ca 0.09 1.28 0.09 0.00 -0.01 0.00 0.00 64.34 65.79 1xxj n VAL 201 Cb 0.39 -2.08 0.48 0.00 -0.91 0.00 0.00 33.84 31.72 1xxj n VAL 201 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xxj h PRO 202 N 0.00 0.00 -0.22 5.55 0.11 -1.86 -3.07 132.00 132.52 1xxj h PRO 202 Ca 0.55 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.57 1xxj h PRO 202 Cb 1.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.61 1xxj h PRO 202 CO -0.46 0.24 -0.26 0.87 -0.21 0.00 0.00 178.00 178.19 1xxj h LYS 203 N 0.00 0.41 0.00 1.05 1.57 0.16 -3.28 116.57 116.48 1xxj h LYS 203 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1xxj h LYS 203 Cb 0.69 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1xxj h LYS 203 CO 0.03 0.64 0.00 1.19 -0.57 0.00 0.00 179.45 180.74 1xxj n PHE 204 N -4.13 0.00 -0.02 -1.35 3.72 -1.16 -0.24 117.46 114.28 1xxj n PHE 204 Ca -0.01 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 1xxj n PHE 204 Cb 0.40 -0.48 0.65 0.00 -0.94 0.00 0.00 39.48 39.11 1xxj n PHE 204 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1xxj h ASP 205 N 0.00 0.09 0.58 4.37 3.32 -1.75 -1.79 116.42 121.24 1xxj h ASP 205 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1xxj h ASP 205 Cb 0.00 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1xxj h ASP 205 CO 0.00 0.05 -0.28 0.00 -1.72 0.00 0.00 179.24 177.29 1xxj h ALA 206 N 1.73 -0.78 0.00 3.45 0.00 -1.58 -1.72 119.26 120.36 1xxj h ALA 206 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xxj h ALA 206 Cb 0.91 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xxj h ALA 206 CO -0.03 -0.81 -0.01 1.15 0.00 0.00 0.00 179.25 179.55 1xxj h THR 207 N -1.03 0.86 0.08 0.00 2.02 0.17 -0.40 112.91 114.61 1xxj h THR 207 Ca -0.08 -0.02 -0.26 0.00 0.77 0.00 0.00 66.41 66.82 1xxj h THR 207 Cb 0.66 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1xxj h THR 207 CO 0.13 0.01 -1.13 -0.25 0.37 0.00 0.00 175.52 174.64 1xxj h TRP 208 N 0.00 0.65 -0.54 3.16 7.01 -1.28 -1.02 115.95 123.93 1xxj h TRP 208 Ca -0.00 -0.41 -0.11 0.00 2.11 0.00 0.00 58.89 60.48 1xxj h TRP 208 Cb 0.01 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1xxj h TRP 208 CO 0.00 1.27 -0.08 0.00 -2.79 0.00 0.00 178.44 176.84 1xxj h ALA 209 N 0.58 0.84 -0.03 2.65 0.00 -0.61 -1.43 119.26 121.25 1xxj h ALA 209 Ca -0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1xxj h ALA 209 Cb 1.81 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1xxj h ALA 209 CO 0.20 0.66 -0.00 1.15 0.00 0.00 0.00 179.25 181.25 1xxj h THR 210 N 0.88 1.27 -0.84 0.00 2.02 -1.05 -0.07 112.91 115.12 1xxj h THR 210 Ca 0.14 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.56 1xxj h THR 210 Cb 0.63 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 1xxj h THR 210 CO 0.04 0.22 0.51 0.00 0.37 0.00 0.00 175.52 176.67 1xxj h ALA 211 N 0.67 1.17 -0.50 6.16 0.00 -1.09 0.50 119.26 126.17 1xxj h ALA 211 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1xxj h ALA 211 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xxj h ALA 211 CO 0.00 0.23 -0.07 -0.09 0.00 0.00 0.00 179.25 179.33 1xxj h ARG 212 N 0.92 0.93 0.59 0.00 2.43 -1.15 -1.59 114.38 116.52 1xxj h ARG 212 Ca 0.38 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1xxj h ARG 212 Cb 0.21 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1xxj h ARG 212 CO -0.19 0.99 -0.29 1.49 -1.51 0.00 0.00 179.97 180.47 1xxj h GLU 213 N 0.79 -0.77 -0.24 0.20 4.81 0.52 -2.14 114.58 117.75 1xxj h GLU 213 Ca 0.13 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1xxj h GLU 213 Cb 0.61 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1xxj h GLU 213 CO 0.04 -0.48 0.12 0.28 -0.73 0.00 0.00 179.01 178.24 1xxj h VAL 214 N -0.87 1.08 0.08 0.32 2.07 -0.08 -1.43 116.25 117.42 1xxj h VAL 214 Ca -0.08 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xxj h VAL 214 Cb 0.64 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1xxj h VAL 214 CO 0.13 0.09 -0.04 0.74 0.02 0.00 0.00 177.57 178.52 1xxj h THR 215 N 0.33 1.17 0.33 2.57 2.02 -1.11 -2.76 112.91 115.46 1xxj h THR 215 Ca 0.09 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1xxj h THR 215 Cb 0.02 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1xxj h THR 215 CO -0.01 0.23 -0.32 -0.07 0.37 0.00 0.00 175.52 175.72 1xxj h LEU 216 N -0.55 -0.85 0.03 2.58 -0.00 -1.11 -1.56 115.31 113.85 1xxj h LEU 216 Ca -0.01 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1xxj h LEU 216 Cb 0.46 0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 1xxj h LEU 216 CO 0.02 -0.45 -0.08 0.50 -0.00 0.00 0.00 178.44 178.42 1xxj h LYS 217 N -0.67 -0.12 -1.21 1.13 3.64 -1.36 -1.41 116.57 116.57 1xxj h LYS 217 Ca -0.02 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 59.72 1xxj h LYS 217 Cb 0.61 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1xxj h LYS 217 CO -0.05 -0.08 0.83 1.15 -2.27 0.00 0.00 179.45 179.02 1xxj h THR 218 N -0.13 0.37 -0.07 1.00 2.02 -1.53 0.70 112.91 115.27 1xxj h THR 218 Ca -0.00 -0.05 -0.18 0.00 0.77 0.00 0.00 66.41 66.94 1xxj h THR 218 Cb 0.13 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1xxj h THR 218 CO -0.04 0.03 -0.74 0.15 0.37 0.00 0.00 175.52 175.29 1xxj h PHE 219 N 0.14 0.53 -0.00 3.16 3.57 -0.79 -1.98 116.94 121.58 1xxj h PHE 219 Ca 0.64 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1xxj h PHE 219 Cb 2.17 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.82 1xxj h PHE 219 CO -0.00 1.00 -0.03 0.00 -2.23 0.00 0.00 178.31 177.05 1xxj h ALA 220 N 0.94 0.00 0.01 2.41 0.00 0.13 -3.38 119.26 119.38 1xxj h ALA 220 Ca -0.03 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1xxj h ALA 220 Cb 1.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1xxj h ALA 220 CO 0.13 -0.09 -1.04 0.93 0.00 0.00 0.00 179.25 179.18 1xxj h GLU 221 N -0.75 0.63 -6.57 0.00 5.08 -0.82 -3.46 114.58 108.69 1xxj h GLU 221 Ca -0.00 -0.70 -0.53 0.00 -1.00 0.00 0.00 59.36 57.13 1xxj h GLU 221 Cb 0.80 0.20 0.05 0.00 0.50 0.00 0.00 28.75 30.30 1xxj h GLU 221 CO 0.01 1.29 1.07 -3.47 -1.00 0.00 0.00 179.01 176.90 1xxj n ASP 222 N -3.82 4.01 -4.47 1.42 -0.08 -0.74 -4.91 116.55 107.95 1xxj n ASP 222 Ca -0.10 1.02 -0.43 0.00 -1.51 0.00 0.00 54.79 53.77 1xxj n ASP 222 Cb 0.88 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.75 1xxj n ASP 222 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1xxj s ASN 223 N 2.07 6.33 -0.19 1.67 3.84 -1.26 -4.80 114.94 122.59 1xxj s ASN 223 Ca 0.79 -1.27 -0.29 0.00 0.21 0.00 0.00 52.86 52.30 1xxj s ASN 223 Cb -0.49 -2.44 -0.04 0.00 -0.55 0.00 0.00 41.25 37.72 1xxj s ASN 223 CO 0.35 -1.38 1.91 -0.55 -2.79 0.00 0.00 177.10 174.64 1xxj s SER 224 N 3.80 5.99 0.02 -4.21 0.15 -1.19 -4.89 113.70 113.37 1xxj s SER 224 Ca 0.28 1.84 -0.18 0.00 0.70 0.00 0.00 55.95 58.59 1xxj s SER 224 Cb -0.11 -2.52 -0.27 0.00 -1.71 0.00 0.00 66.02 61.40 1xxj s SER 224 CO 0.03 -1.54 1.06 0.00 1.20 0.00 0.00 173.24 173.99 1xxj h ALA 225 N 12.56 0.01 -2.75 5.45 0.00 -1.93 0.24 119.26 132.84 1xxj h ALA 225 Ca -0.39 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 53.79 1xxj h ALA 225 Cb 1.20 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1xxj h ALA 225 CO 0.98 0.50 -0.09 -1.54 0.00 0.00 0.00 179.25 179.11 1xxj s SER 226 N -7.09 -0.22 0.30 0.00 1.04 -1.26 -4.14 113.70 102.33 1xxj s SER 226 Ca -0.12 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1xxj s SER 226 Cb 0.04 0.47 0.47 0.00 0.10 0.00 0.00 66.02 67.10 1xxj s SER 226 CO 0.87 -0.85 1.85 0.58 0.98 0.00 0.00 173.24 176.68 1xxj h VAL 227 N 2.38 1.21 -0.42 5.02 2.07 -1.91 -2.59 116.25 122.02 1xxj h VAL 227 Ca -0.34 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1xxj h VAL 227 Cb 1.25 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1xxj h VAL 227 CO 0.47 0.29 0.13 1.56 0.02 0.00 0.00 177.57 180.04 1xxj h GLN 228 N 0.71 0.27 -0.33 1.57 7.50 -1.97 -0.36 115.11 122.50 1xxj h GLN 228 Ca 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.27 1xxj h GLN 228 Cb 0.29 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.74 1xxj h GLN 228 CO 0.00 0.18 0.15 0.00 -1.50 0.00 0.00 178.83 177.66 1xxj h ALA 229 N 1.29 0.43 -0.52 3.87 0.00 -1.87 -1.03 119.26 121.43 1xxj h ALA 229 Ca 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xxj h ALA 229 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xxj h ALA 229 CO -0.22 0.01 0.14 1.15 0.00 0.00 0.00 179.25 180.33 1xxj h THR 230 N 0.39 1.24 -0.40 0.00 2.02 -1.24 -1.99 112.91 112.93 1xxj h THR 230 Ca 0.11 -0.84 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 1xxj h THR 230 Cb 0.15 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1xxj h THR 230 CO -0.01 0.31 -0.23 0.00 0.37 0.00 0.00 175.52 175.95 1xxj h MET 231 N 0.73 0.80 -0.56 6.66 -0.00 -0.95 -1.71 114.93 119.91 1xxj h MET 231 Ca 0.17 -0.33 -0.04 0.00 -0.00 0.00 0.00 59.70 59.49 1xxj h MET 231 Cb 0.32 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.86 1xxj h MET 231 CO -0.00 0.96 0.19 -0.92 -0.00 0.00 0.00 176.91 177.14 1xxj h TYR 232 N 0.70 0.89 0.26 -0.10 3.20 -1.05 -1.94 116.97 118.92 1xxj h TYR 232 Ca 0.09 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1xxj h TYR 232 Cb 0.76 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1xxj h TYR 232 CO 0.04 0.74 -0.29 0.87 -1.64 0.00 0.00 178.16 177.88 1xxj h LYS 233 N 0.78 -0.54 -1.22 1.82 1.57 -1.17 -1.38 116.57 116.43 1xxj h LYS 233 Ca 0.18 0.04 0.35 0.00 -1.87 0.00 0.00 60.65 59.35 1xxj h LYS 233 Cb 0.26 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 1xxj h LYS 233 CO -0.01 -0.36 0.82 0.00 -0.57 0.00 0.00 179.45 179.33 1xxj h MET 234 N -0.56 0.17 -0.36 3.15 -0.00 -1.18 0.32 114.93 116.46 1xxj h MET 234 Ca -0.03 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.70 59.55 1xxj h MET 234 Cb 0.50 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 1xxj h MET 234 CO -0.05 0.11 -0.20 0.00 -0.00 0.00 0.00 176.91 176.77 1xxj h ALA 235 N 1.51 0.51 0.00 -3.00 0.00 -0.71 -3.03 119.26 114.54 1xxj h ALA 235 Ca 0.67 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1xxj h ALA 235 Cb 2.16 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 1xxj h ALA 235 CO -0.23 0.47 -0.34 1.49 0.00 0.00 0.00 179.25 180.64 1xxj h GLU 236 N 0.57 -0.48 -0.98 0.00 4.81 0.72 -1.61 114.58 117.62 1xxj h GLU 236 Ca 0.08 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.48 1xxj h GLU 236 Cb 0.75 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.15 1xxj h GLU 236 CO 0.06 -0.32 0.60 1.96 -0.73 0.00 0.00 179.01 180.58 1xxj h GLN 237 N -0.50 0.86 -0.60 1.92 4.20 -1.51 -1.49 115.11 117.99 1xxj h GLN 237 Ca 0.06 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1xxj h GLN 237 Cb 0.58 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1xxj h GLN 237 CO -0.28 0.57 0.05 0.82 -0.67 0.00 0.00 178.83 179.31 1xxj h ILE 238 N 0.88 1.26 -0.08 2.54 2.04 -1.23 -1.48 117.51 121.45 1xxj h ILE 238 Ca 0.51 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.18 1xxj h ILE 238 Cb 0.62 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1xxj h ILE 238 CO -0.31 0.39 -0.46 -0.07 0.00 0.00 0.00 178.15 177.70 1xxj h LEU 239 N 0.93 0.20 -0.07 1.44 3.38 -0.67 -2.80 115.31 117.72 1xxj h LEU 239 Ca 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1xxj h LEU 239 Cb 0.50 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xxj h LEU 239 CO 0.02 0.64 -0.04 0.00 0.09 0.00 0.00 178.44 179.15 1xxj h ALA 240 N 1.37 0.10 0.00 1.53 0.00 -1.02 -3.14 119.26 118.10 1xxj h ALA 240 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xxj h ALA 240 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xxj h ALA 240 CO 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1xxj h ARG 241 N -0.24 0.00 -3.00 0.00 3.08 -1.24 -3.41 114.38 109.57 1xxj h ARG 241 Ca 0.01 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.67 1xxj h ARG 241 Cb 0.50 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.16 1xxj h ARG 241 CO 0.01 0.00 -0.71 -1.14 -1.07 0.00 0.00 179.97 177.06 1xxj s GLN 242 N -3.43 0.06 0.43 0.04 2.00 -1.06 -5.01 119.66 112.69 1xxj s GLN 242 Ca 0.03 0.16 0.24 0.00 -2.00 0.00 0.00 55.36 53.78 1xxj s GLN 242 Cb 0.09 -1.23 0.68 0.00 0.80 0.00 0.00 33.01 33.35 1xxj s GLN 242 CO 0.41 -0.55 1.72 0.37 -0.50 0.00 0.00 175.29 176.74 1xxj h GLN 243 N 8.39 0.00 0.00 1.67 5.75 -1.82 -3.21 115.11 125.90 1xxj h GLN 243 Ca -0.15 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 1xxj h GLN 243 Cb 1.14 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 1xxj h GLN 243 CO 0.24 0.18 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.43 1xxj h LEU 244 N 0.00 0.00 -9.29 -2.39 -0.00 -1.95 -3.43 115.31 98.25 1xxj h LEU 244 Ca -0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.32 1xxj h LEU 244 Cb 0.90 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.51 1xxj h LEU 244 CO 0.02 0.10 0.34 -0.63 -0.00 0.00 0.00 178.44 178.27 1xxj s ILE 245 N -3.39 4.90 -0.07 1.22 1.09 -1.21 0.66 121.20 124.40 1xxj s ILE 245 Ca 0.04 1.76 0.07 0.00 -1.10 0.00 0.00 60.65 61.42 1xxj s ILE 245 Cb 0.07 -4.19 -0.24 0.00 -1.06 0.00 0.00 42.46 37.05 1xxj s ILE 245 CO 0.63 0.11 0.55 -0.62 -0.10 0.00 0.00 174.94 175.52 1xxj n GLU 246 N 4.50 0.67 -3.76 2.79 1.02 0.47 -4.87 120.64 121.46 1xxj n GLU 246 Ca 0.04 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.33 1xxj n GLU 246 Cb 0.50 -1.76 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 1xxj n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xxj s THR 247 N -2.58 0.06 -0.09 2.62 -4.23 -1.23 -3.73 115.64 106.47 1xxj s THR 247 Ca -0.10 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1xxj s THR 247 Cb 0.08 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.24 1xxj s THR 247 CO 0.81 -0.29 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.74 1xxj s VAL 248 N -1.62 1.50 -0.16 2.29 1.01 -0.54 -1.31 120.40 121.57 1xxj s VAL 248 Ca -0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1xxj s VAL 248 Cb -0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1xxj s VAL 248 CO 0.02 0.44 -0.10 -0.70 0.00 0.00 0.00 175.10 174.76 1xxj s GLU 249 N 0.66 3.39 0.08 2.72 2.12 0.42 -1.04 118.70 127.06 1xxj s GLU 249 Ca -0.14 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 54.61 1xxj s GLU 249 Cb -0.16 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 1xxj s GLU 249 CO 0.04 0.08 -0.16 0.71 -0.54 0.00 0.00 175.26 175.39 1xxj s TYR 250 N 0.71 2.60 -0.19 5.30 2.02 -0.23 0.44 117.35 128.01 1xxj s TYR 250 Ca -0.05 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1xxj s TYR 250 Cb -0.15 -1.42 0.09 0.00 -0.40 0.00 0.00 41.96 40.07 1xxj s TYR 250 CO 0.02 0.34 0.22 0.45 -1.57 0.00 0.00 175.55 175.02 1xxj s SER 251 N -1.85 1.21 -0.06 2.29 0.15 0.04 -1.51 113.70 113.97 1xxj s SER 251 Ca 0.17 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1xxj s SER 251 Cb -0.11 0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1xxj s SER 251 CO 0.09 -0.31 -0.20 -0.76 1.20 0.00 0.00 173.24 173.26 1xxj s LEU 252 N 2.34 1.94 -0.01 3.45 1.43 0.12 -2.65 118.68 125.30 1xxj s LEU 252 Ca 0.06 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 1xxj s LEU 252 Cb -0.15 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1xxj s LEU 252 CO -0.11 0.15 0.63 -2.84 0.23 0.00 0.00 176.35 174.41 1xxj s PRO 253 N 0.18 4.36 -0.82 1.29 0.01 -1.26 -0.78 135.00 137.99 1xxj s PRO 253 Ca -0.10 0.79 -0.15 0.00 0.01 0.00 0.00 61.00 61.55 1xxj s PRO 253 Cb -0.14 -3.37 0.19 0.00 0.01 0.00 0.00 34.50 31.19 1xxj s PRO 253 CO 0.05 0.30 0.81 1.21 0.01 0.00 0.00 177.00 179.38 1xxj s ASN 254 N 0.02 6.68 -0.48 2.53 2.47 0.67 -3.74 114.94 123.09 1xxj s ASN 254 Ca 0.33 -2.46 -0.28 0.00 0.42 0.00 0.00 52.86 50.87 1xxj s ASN 254 Cb -0.18 -2.25 -0.01 0.00 -1.45 0.00 0.00 41.25 37.36 1xxj s ASN 254 CO 0.18 -0.70 1.72 -0.54 -3.72 0.00 0.00 177.10 174.03 1xxj s LYS 255 N 0.81 3.10 0.30 0.43 1.02 0.73 -3.07 119.74 123.06 1xxj s LYS 255 Ca 0.19 0.93 -0.28 0.00 0.02 0.00 0.00 55.97 56.82 1xxj s LYS 255 Cb -0.11 -4.24 -0.09 0.00 -0.52 0.00 0.00 37.83 32.87 1xxj s LYS 255 CO -0.08 -2.16 1.09 -1.01 -0.92 0.00 0.00 175.35 172.28 1xxj s HIS 256 N 7.40 3.53 -0.21 3.18 3.76 -1.26 -4.14 115.29 127.55 1xxj s HIS 256 Ca 0.69 1.69 -0.00 0.00 -0.15 0.00 0.00 55.06 57.29 1xxj s HIS 256 Cb -0.16 -3.26 0.02 0.00 1.11 0.00 0.00 32.58 30.29 1xxj s HIS 256 CO 0.27 -0.56 -0.13 0.71 -0.85 0.00 0.00 174.74 174.18 1xxj s TYR 257 N -1.25 2.91 0.19 1.40 1.51 -1.26 -1.03 117.35 119.81 1xxj s TYR 257 Ca 0.47 -1.52 -0.10 0.00 -1.01 0.00 0.00 57.07 54.91 1xxj s TYR 257 Cb -0.30 -1.99 -0.07 0.00 -0.11 0.00 0.00 41.96 39.49 1xxj s TYR 257 CO 0.39 -0.74 0.52 -0.06 -1.11 0.00 0.00 175.55 174.54 1xxj s PHE 258 N 1.33 3.48 0.37 2.71 0.40 -0.48 -4.87 117.98 120.92 1xxj s PHE 258 Ca 0.03 0.88 -0.21 0.00 -0.60 0.00 0.00 56.93 57.03 1xxj s PHE 258 Cb -0.14 -2.25 -0.10 0.00 0.51 0.00 0.00 43.02 41.03 1xxj s PHE 258 CO -0.09 0.34 0.89 -1.21 0.70 0.00 0.00 175.22 175.86 1xxj s GLU 259 N -2.52 4.26 -0.33 0.44 2.02 -1.26 -0.86 118.70 120.45 1xxj s GLU 259 Ca 0.43 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.49 1xxj s GLU 259 Cb -0.12 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 31.78 1xxj s GLU 259 CO 0.21 0.10 0.05 0.42 0.02 0.00 0.00 175.26 176.06 1xxj s ILE 260 N -1.98 2.77 -0.19 -1.63 1.09 -1.25 -4.84 121.20 115.17 1xxj s ILE 260 Ca 0.57 -1.84 -0.29 0.00 -1.10 0.00 0.00 60.65 57.98 1xxj s ILE 260 Cb -0.12 -2.79 -0.03 0.00 -1.06 0.00 0.00 42.46 38.46 1xxj s ILE 260 CO 0.17 -0.38 1.62 -0.62 -0.10 0.00 0.00 174.94 175.63 1xxj s ASP 261 N 1.30 6.43 -0.00 3.58 3.68 -1.26 -4.50 116.67 125.90 1xxj s ASP 261 Ca 0.02 1.74 0.12 0.00 2.13 0.00 0.00 52.55 56.56 1xxj s ASP 261 Cb -0.20 -2.53 0.35 0.00 -1.45 0.00 0.00 42.92 39.08 1xxj s ASP 261 CO -0.04 -1.19 1.29 0.18 0.13 0.00 0.00 175.17 175.53 1xxj n LEU 262 N 8.21 3.06 -0.30 -1.34 4.77 -1.26 -4.68 117.00 125.46 1xxj n LEU 262 Ca 0.19 -2.01 0.08 0.00 -0.03 0.00 0.00 56.01 54.24 1xxj n LEU 262 Cb 0.45 -0.27 0.24 0.00 -2.33 0.00 0.00 43.42 41.51 1xxj n LEU 262 CO 0.64 0.76 1.11 0.77 -1.33 0.00 0.00 177.39 179.34 1xxj h SER 263 N 2.29 0.56 0.00 -1.43 4.64 -1.64 0.14 113.55 118.10 1xxj h SER 263 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1xxj h SER 263 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1xxj h SER 263 CO 0.00 0.23 0.23 -2.67 -0.87 0.00 0.00 176.83 173.75 1xxj n TRP 264 N -4.86 0.47 -3.79 4.77 4.27 -1.26 -1.55 117.44 115.49 1xxj n TRP 264 Ca 0.18 0.25 -0.36 0.00 -3.89 0.00 0.00 57.50 53.68 1xxj n TRP 264 Cb 0.46 -0.74 -0.12 0.00 -1.36 0.00 0.00 31.31 29.55 1xxj n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1xxj s HIS 265 N -3.32 3.59 -1.26 -2.67 5.04 0.47 -4.73 115.29 112.41 1xxj s HIS 265 Ca -0.02 -2.46 -0.05 0.00 -1.54 0.00 0.00 55.06 51.00 1xxj s HIS 265 Cb 0.04 -3.21 0.03 0.00 0.04 0.00 0.00 32.58 29.48 1xxj s HIS 265 CO 0.13 -0.97 0.30 1.63 -2.34 0.00 0.00 174.74 173.49 1xxj n LYS 266 N 4.54 -3.15 -2.55 2.88 5.02 -1.25 -1.71 118.16 121.94 1xxj n LYS 266 Ca -0.02 0.62 -0.19 0.00 -2.02 0.00 0.00 58.31 56.70 1xxj n LYS 266 Cb 0.41 -5.31 -0.00 0.00 -0.02 0.00 0.00 35.03 30.11 1xxj n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxj n GLY 267 N -1.09 -0.50 3.68 0.72 0.00 -0.60 -4.91 105.19 102.49 1xxj n GLY 267 Ca -0.09 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1xxj n GLY 267 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xxj s LEU 268 N -6.07 4.36 -0.37 0.99 2.96 -0.69 -4.84 118.68 115.02 1xxj s LEU 268 Ca 0.07 2.43 -0.22 0.00 -0.22 0.00 0.00 54.13 56.18 1xxj s LEU 268 Cb -0.03 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.12 1xxj s LEU 268 CO 0.08 -0.92 0.74 -1.10 -1.32 0.00 0.00 176.35 173.83 1xxj s GLN 269 N 3.29 3.70 0.00 1.98 -1.52 -1.26 -1.69 119.66 124.16 1xxj s GLN 269 Ca 0.75 0.20 0.00 0.00 -1.95 0.00 0.00 55.36 54.36 1xxj s GLN 269 Cb -0.38 -3.82 0.00 0.00 -0.22 0.00 0.00 33.01 28.59 1xxj s GLN 269 CO 0.33 -0.84 0.12 -1.71 -0.25 0.00 0.00 175.29 172.93 1xxj n ASN 270 N 6.34 0.23 -5.03 5.90 5.15 -1.26 -4.77 115.26 121.82 1xxj n ASN 270 Ca 0.02 -0.77 -0.19 0.00 -0.60 0.00 0.00 54.58 53.03 1xxj n ASN 270 Cb 0.48 0.09 0.05 0.00 -0.53 0.00 0.00 39.78 39.87 1xxj n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xxj s THR 271 N -0.09 2.25 0.00 -0.44 -4.23 -1.26 -2.89 115.64 108.98 1xxj s THR 271 Ca 0.00 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1xxj s THR 271 Cb 0.00 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1xxj s THR 271 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1xxj n GLY 272 N -2.19 2.65 0.33 3.99 0.00 -1.26 -0.94 105.19 107.76 1xxj n GLY 272 Ca 0.15 -0.11 0.22 0.00 0.00 0.00 0.00 46.02 46.28 1xxj n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xxj h LYS 273 N 0.00 0.00 -0.20 1.61 1.63 -2.00 -1.87 116.57 115.74 1xxj h LYS 273 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xxj h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1xxj h LYS 273 CO 0.00 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.09 1xxj n ASN 274 N -3.06 2.27 -4.68 4.20 4.13 -0.12 -4.95 115.26 113.05 1xxj n ASN 274 Ca -0.02 -1.80 -0.42 0.00 1.68 0.00 0.00 54.58 54.02 1xxj n ASN 274 Cb 0.11 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.19 1xxj n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xxj s ALA 275 N -1.75 3.64 0.00 5.41 0.00 -0.71 -4.24 121.76 124.12 1xxj s ALA 275 Ca 0.34 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1xxj s ALA 275 Cb 0.19 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1xxj s ALA 275 CO 0.29 -1.22 0.00 0.39 0.00 0.00 0.00 175.76 175.21 1xxj n GLU 276 N 6.29 0.00 -3.67 0.00 1.02 -1.25 -5.00 120.64 118.02 1xxj n GLU 276 Ca 0.16 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.95 1xxj n GLU 276 Cb 0.42 -0.36 -0.08 0.00 -0.02 0.00 0.00 31.44 31.40 1xxj n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xxj s VAL 277 N -2.00 5.38 0.34 2.62 1.01 -1.26 -5.11 120.40 121.38 1xxj s VAL 277 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1xxj s VAL 277 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 1xxj s VAL 277 CO 0.00 0.42 0.06 -0.36 0.00 0.00 0.00 175.10 175.22 1xxj s PHE 278 N 0.43 1.96 -0.34 5.22 0.40 -1.26 -3.92 117.98 120.47 1xxj s PHE 278 Ca 0.10 -0.98 0.01 0.00 -0.60 0.00 0.00 56.93 55.46 1xxj s PHE 278 Cb -0.12 -1.29 0.09 0.00 0.51 0.00 0.00 43.02 42.21 1xxj s PHE 278 CO -0.00 -0.01 0.06 0.00 0.70 0.00 0.00 175.22 175.98 1xxj s ALA 279 N -3.27 2.91 0.19 5.36 0.00 -0.04 -4.93 121.76 121.99 1xxj s ALA 279 Ca 0.35 -2.32 -0.31 0.00 0.00 0.00 0.00 51.96 49.68 1xxj s ALA 279 Cb 0.08 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 1xxj s ALA 279 CO 0.15 -1.59 1.50 -2.14 0.00 0.00 0.00 175.76 173.68 1xxj s PRO 280 N 1.05 4.25 -0.18 0.00 0.02 -1.26 -1.38 135.00 137.49 1xxj s PRO 280 Ca 0.05 2.30 -0.16 0.00 0.02 0.00 0.00 61.00 63.21 1xxj s PRO 280 Cb -0.20 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 1xxj s PRO 280 CO -0.06 -0.52 0.40 -0.65 -0.33 0.00 0.00 177.00 175.85 1xxj s GLN 281 N 0.58 4.21 0.31 5.54 -1.52 -0.20 -4.93 119.66 123.65 1xxj s GLN 281 Ca 0.65 0.23 0.08 0.00 -1.95 0.00 0.00 55.36 54.38 1xxj s GLN 281 Cb -0.42 -3.51 0.50 0.00 -0.22 0.00 0.00 33.01 29.36 1xxj s GLN 281 CO 0.35 0.02 1.72 0.77 -0.25 0.00 0.00 175.29 177.90 1xxj h SER 282 N 7.18 0.16 -4.82 5.90 0.02 -1.93 -3.41 113.55 116.65 1xxj h SER 282 Ca -0.37 -0.07 0.18 0.00 -0.84 0.00 0.00 61.79 60.69 1xxj h SER 282 Cb 1.16 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 63.52 1xxj h SER 282 CO 0.73 0.58 0.60 1.51 -1.14 0.00 0.00 176.83 179.11 1xxj s ASP 283 N -6.89 -0.24 0.21 3.07 1.47 -1.26 -4.82 116.67 108.21 1xxj s ASP 283 Ca -0.04 -0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.60 1xxj s ASP 283 Cb 0.13 0.33 0.00 0.00 -0.34 0.00 0.00 42.92 43.04 1xxj s ASP 283 CO 0.76 -0.55 0.00 -0.81 0.68 0.00 0.00 175.17 175.25 1xxj n PRO 284 N -0.28 0.79 -3.68 2.11 -0.04 -1.26 -5.12 135.00 127.51 1xxj n PRO 284 Ca -0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 1xxj n PRO 284 Cb 0.61 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.99 1xxj n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xxj s ASN 285 N -1.00 -0.43 0.54 3.54 4.22 -1.26 -4.68 114.94 115.86 1xxj s ASN 285 Ca 0.00 0.61 -0.19 0.00 -2.14 0.00 0.00 52.86 51.14 1xxj s ASN 285 Cb 0.00 0.65 -0.06 0.00 1.28 0.00 0.00 41.25 43.12 1xxj s ASN 285 CO 0.00 -0.37 1.08 -0.83 -2.04 0.00 0.00 177.10 174.94 1xxj s GLY 286 N -0.62 2.46 -0.12 0.45 0.00 -1.18 -4.85 107.32 103.47 1xxj s GLY 286 Ca -0.07 0.64 -0.03 0.00 0.00 0.00 0.00 44.72 45.26 1xxj s GLY 286 CO 0.04 0.98 0.06 -2.27 0.00 0.00 0.00 173.10 171.90 1xxj s LEU 287 N -3.89 0.44 -0.15 0.66 2.96 -1.26 -0.24 118.68 117.20 1xxj s LEU 287 Ca 0.69 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1xxj s LEU 287 Cb -0.19 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.22 1xxj s LEU 287 CO 0.27 -0.29 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.20 1xxj s ILE 288 N 2.08 1.84 0.20 6.68 1.01 0.04 -4.99 121.20 128.07 1xxj s ILE 288 Ca 0.03 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.95 1xxj s ILE 288 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1xxj s ILE 288 CO -0.06 0.51 -0.18 -0.54 0.00 0.00 0.00 174.94 174.66 1xxj s LYS 289 N 1.11 1.41 -0.29 2.79 1.02 -1.26 -0.71 119.74 123.81 1xxj s LYS 289 Ca -0.01 -1.54 -0.20 0.00 0.02 0.00 0.00 55.97 54.23 1xxj s LYS 289 Cb -0.14 -1.44 0.18 0.00 -0.52 0.00 0.00 37.83 35.90 1xxj s LYS 289 CO -0.07 0.28 1.21 0.00 -0.92 0.00 0.00 175.35 175.85 1xxj s THR 291 N 0.71 2.89 -0.31 0.00 2.01 -1.26 -1.06 115.64 118.62 1xxj s THR 291 Ca -0.02 -1.18 -0.10 0.00 0.31 0.00 0.00 61.69 60.69 1xxj s THR 291 Cb -0.04 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1xxj s THR 291 CO -0.12 0.07 0.16 -0.69 -0.69 0.00 0.00 174.62 173.36 1xxj s VAL 292 N 1.29 4.75 0.00 3.82 1.01 -0.20 -4.95 120.40 126.12 1xxj s VAL 292 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1xxj s VAL 292 Cb -0.18 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1xxj s VAL 292 CO -0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1xxj n GLY 293 N 5.00 2.87 3.71 4.51 0.00 -1.26 -1.47 105.19 118.55 1xxj n GLY 293 Ca -0.14 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.40 1xxj n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxj s ARG 294 N -0.78 4.22 0.00 1.61 0.52 -1.24 -4.99 118.95 118.28 1xxj s ARG 294 Ca 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1xxj s ARG 294 Cb 0.00 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1xxj s ARG 294 CO 0.00 0.18 0.31 0.45 0.02 0.00 0.00 175.30 176.26