#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xy3 s VAL 3 N 0.00 3.81 0.04 0.00 1.01 -1.26 -4.87 120.40 119.13 1xy3 s VAL 3 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1xy3 s VAL 3 Cb 0.00 -4.05 -0.25 0.00 0.00 0.00 0.00 36.38 32.08 1xy3 s VAL 3 CO 0.00 -0.64 0.98 0.11 0.00 0.00 0.00 175.10 175.55 1xy3 h LYS 4 N 11.11 0.14 -2.05 2.72 1.57 -2.07 -3.47 116.57 124.51 1xy3 h LYS 4 Ca -0.29 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1xy3 h LYS 4 Cb 1.12 0.09 -0.21 0.00 0.08 0.00 0.00 32.23 33.31 1xy3 h LYS 4 CO 1.07 0.99 0.12 0.00 -0.57 0.00 0.00 179.45 181.05 1xy3 s ALA 5 N -2.64 -1.73 -0.13 3.86 0.00 -1.26 -5.17 121.76 114.68 1xy3 s ALA 5 Ca -0.05 1.79 -0.11 0.00 0.00 0.00 0.00 51.96 53.59 1xy3 s ALA 5 Cb 0.08 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.39 1xy3 s ALA 5 CO 0.84 -0.34 0.34 0.00 0.00 0.00 0.00 175.76 176.60 1xy3 s ALA 6 N -0.03 -0.85 0.14 0.00 0.00 -1.26 -5.16 121.76 114.59 1xy3 s ALA 6 Ca -0.03 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 1xy3 s ALA 6 Cb -0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1xy3 s ALA 6 CO 0.03 -0.18 0.08 1.03 0.00 0.00 0.00 175.76 176.72 1xy3 s ARG 7 N 0.46 0.96 0.00 0.00 0.52 -1.26 -4.63 118.95 114.99 1xy3 s ARG 7 Ca -0.02 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1xy3 s ARG 7 Cb -0.04 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.69 1xy3 s ARG 7 CO -0.02 -0.28 0.00 2.48 0.02 0.00 0.00 175.30 177.50 1xy3 n TYR 8 N -0.11 0.00 -0.98 -0.53 4.11 -1.06 -4.93 117.16 113.66 1xy3 n TYR 8 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.84 1xy3 n TYR 8 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 1xy3 n TYR 8 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xy3 n GLY 9 N -0.00 -0.69 3.47 -7.48 0.00 -1.25 -0.00 105.19 99.24 1xy3 n GLY 9 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.39 2.43 0.21 1.61 2.47 -0.69 -4.87 119.74 120.50 1xy3 s LYS 10 Ca 0.00 -0.74 0.08 0.00 -1.56 0.00 0.00 55.97 53.75 1xy3 s LYS 10 Cb 0.00 -2.35 -0.05 0.00 -1.46 0.00 0.00 37.83 33.98 1xy3 s LYS 10 CO 0.00 0.61 -0.16 0.34 0.16 0.00 0.00 175.35 176.30 1xy3 s ASP 11 N -0.85 2.70 -1.41 1.43 2.15 -1.26 -1.10 116.67 118.33 1xy3 s ASP 11 Ca 0.12 -1.00 -0.09 0.00 0.43 0.00 0.00 52.55 52.01 1xy3 s ASP 11 Cb -0.11 -0.16 0.04 0.00 -0.30 0.00 0.00 42.92 42.40 1xy3 s ASP 11 CO 0.01 -0.13 1.01 0.59 -0.17 0.00 0.00 175.17 176.49 1xy3 n ASN 12 N -0.33 -4.56 -4.51 -0.34 3.02 -1.17 -4.94 115.26 102.43 1xy3 n ASN 12 Ca -0.08 -0.69 -0.43 0.00 -0.03 0.00 0.00 54.58 53.35 1xy3 n ASN 12 Cb 0.60 -4.41 -0.05 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.37 4.53 -0.01 2.41 1.01 -0.46 -4.87 120.40 119.64 1xy3 s VAL 13 Ca 0.48 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 1xy3 s VAL 13 Cb -0.23 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1xy3 s VAL 13 CO 0.79 -0.97 0.95 -0.13 0.00 0.00 0.00 175.10 175.74 1xy3 s ARG 14 N 3.57 4.54 0.03 2.72 0.52 -1.26 -0.12 118.95 128.95 1xy3 s ARG 14 Ca 0.28 1.36 0.05 0.00 -0.52 0.00 0.00 55.73 56.90 1xy3 s ARG 14 Cb -0.14 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 1xy3 s ARG 14 CO 0.19 -0.05 -0.14 0.08 0.02 0.00 0.00 175.30 175.40 1xy3 s VAL 15 N 1.04 1.11 -0.02 3.52 1.01 0.12 -4.98 120.40 122.19 1xy3 s VAL 15 Ca 0.50 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1xy3 s VAL 15 Cb -0.21 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1xy3 s VAL 15 CO 0.26 0.06 -0.01 -0.47 0.00 0.00 0.00 175.10 174.95 1xy3 s TYR 16 N -0.75 0.31 -0.01 5.22 6.14 -1.26 -0.47 117.35 126.54 1xy3 s TYR 16 Ca 0.02 -0.02 0.02 0.00 0.64 0.00 0.00 57.07 57.73 1xy3 s TYR 16 Cb -0.07 -0.35 -0.00 0.00 0.42 0.00 0.00 41.96 41.95 1xy3 s TYR 16 CO 0.01 -0.10 -0.06 0.21 0.64 0.00 0.00 175.55 176.25 1xy3 s LYS 17 N 0.71 0.56 -0.10 4.97 2.20 0.11 -4.98 119.74 123.22 1xy3 s LYS 17 Ca -0.07 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1xy3 s LYS 17 Cb -0.10 -0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 35.65 1xy3 s LYS 17 CO -0.01 0.13 -0.13 0.54 -0.36 0.00 0.00 175.35 175.51 1xy3 s VAL 18 N -0.07 3.06 -0.20 4.02 0.11 -1.26 -0.16 120.40 125.89 1xy3 s VAL 18 Ca 0.01 -0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 58.34 1xy3 s VAL 18 Cb -0.04 -2.25 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 1xy3 s VAL 18 CO -0.00 0.55 -0.04 -2.28 -3.33 0.00 0.00 175.10 169.99 1xy3 s HIS 19 N -0.06 2.96 -0.25 1.54 2.46 0.58 -4.97 115.29 117.55 1xy3 s HIS 19 Ca -0.02 -0.74 -0.08 0.00 0.47 0.00 0.00 55.06 54.68 1xy3 s HIS 19 Cb -0.14 -2.06 -0.03 0.00 -0.13 0.00 0.00 32.58 30.22 1xy3 s HIS 19 CO 0.04 -0.40 0.09 0.15 -2.47 0.00 0.00 174.74 172.14 1xy3 s LYS 20 N 1.16 3.71 -0.23 2.88 1.02 -1.26 -0.94 119.74 126.07 1xy3 s LYS 20 Ca 0.02 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 1xy3 s LYS 20 Cb -0.14 -3.36 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1xy3 s LYS 20 CO -0.00 -0.16 1.23 0.34 -0.92 0.00 0.00 175.35 175.83 1xy3 s ASP 21 N 1.57 6.88 0.24 2.83 2.15 -0.35 -4.90 116.67 125.08 1xy3 s ASP 21 Ca 0.06 1.43 0.24 0.00 0.43 0.00 0.00 52.55 54.71 1xy3 s ASP 21 Cb -0.15 -2.54 0.94 0.00 -0.30 0.00 0.00 42.92 40.87 1xy3 s ASP 21 CO 0.05 -0.86 1.72 -1.84 -0.17 0.00 0.00 175.17 174.07 1xy3 n GLU 22 N 6.82 0.20 -0.08 4.34 0.28 -1.26 -0.73 120.64 130.20 1xy3 n GLU 22 Ca 0.14 0.37 -0.10 0.00 -0.16 0.00 0.00 57.16 57.41 1xy3 n GLU 22 Cb 0.46 -1.84 -0.04 0.00 1.43 0.00 0.00 31.44 31.44 1xy3 n GLU 22 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1xy3 n LYS 23 N -2.21 0.48 0.11 3.44 4.01 -1.26 -4.60 118.16 118.13 1xy3 n LYS 23 Ca 0.03 0.54 0.04 0.00 -0.51 0.00 0.00 58.31 58.41 1xy3 n LYS 23 Cb 0.27 -1.71 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 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 -1.00 0.51 0.00 -0.18 1.35 -1.99 -3.48 112.91 108.12 1xy3 h THR 24 Ca -0.10 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1xy3 h THR 24 Cb 0.74 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1xy3 h THR 24 CO -0.06 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1xy3 n GLY 25 N 1.26 0.84 3.73 5.82 0.00 0.09 -5.02 105.19 111.90 1xy3 n GLY 25 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1xy3 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xy3 s VAL 26 N -3.28 3.82 -0.10 1.61 1.01 -1.25 -4.73 120.40 117.47 1xy3 s VAL 26 Ca 0.00 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.40 1xy3 s VAL 26 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1xy3 s VAL 26 CO 0.00 0.19 -0.02 -1.10 0.00 0.00 0.00 175.10 174.17 1xy3 s GLN 27 N 0.25 3.15 -0.09 2.72 -0.21 0.27 -1.21 119.66 124.55 1xy3 s GLN 27 Ca 0.54 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 55.50 1xy3 s GLN 27 Cb -0.31 -2.80 -0.00 0.00 1.00 0.00 0.00 33.01 30.91 1xy3 s GLN 27 CO 0.33 0.56 -0.23 0.99 -2.12 0.00 0.00 175.29 174.82 1xy3 s THR 28 N -0.50 1.97 0.06 -0.19 2.01 -0.12 -4.52 115.64 114.35 1xy3 s THR 28 Ca 0.08 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1xy3 s THR 28 Cb -0.12 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1xy3 s THR 28 CO 0.02 0.54 -0.05 0.68 -0.69 0.00 0.00 174.62 175.13 1xy3 s VAL 29 N 0.29 3.74 -0.04 3.82 -7.23 -1.26 -0.31 120.40 119.41 1xy3 s VAL 29 Ca -0.16 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1xy3 s VAL 29 Cb -0.17 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.05 1xy3 s VAL 29 CO 0.08 0.21 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.66 1xy3 s TYR 30 N -1.18 1.20 0.00 2.82 2.02 0.78 -4.86 117.35 118.13 1xy3 s TYR 30 Ca 0.22 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1xy3 s TYR 30 Cb -0.11 -0.87 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1xy3 s TYR 30 CO 0.13 -0.17 -0.06 -2.00 -1.57 0.00 0.00 175.55 171.88 1xy3 s GLU 31 N 0.37 0.50 0.08 -0.62 2.12 -1.26 0.08 118.70 119.97 1xy3 s GLU 31 Ca -0.07 -0.28 -0.26 0.00 0.36 0.00 0.00 54.97 54.72 1xy3 s GLU 31 Cb -0.12 -0.47 0.08 0.00 0.26 0.00 0.00 34.13 33.89 1xy3 s GLU 31 CO 0.02 0.12 0.72 0.00 -0.54 0.00 0.00 175.26 175.58 1xy3 s MET 32 N -0.29 1.08 -0.22 4.30 0.23 0.38 -2.22 119.30 122.56 1xy3 s MET 32 Ca 0.01 -0.36 -0.05 0.00 -1.03 0.00 0.00 55.69 54.26 1xy3 s MET 32 Cb -0.03 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.75 1xy3 s MET 32 CO -0.00 -0.46 -0.00 0.99 -2.03 0.00 0.00 175.02 173.51 1xy3 s THR 33 N -3.34 3.74 0.07 3.16 2.01 -0.61 0.13 115.64 120.79 1xy3 s THR 33 Ca 0.02 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1xy3 s THR 33 Cb -0.01 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1xy3 s THR 33 CO -0.10 0.40 0.06 -0.69 -0.69 0.00 0.00 174.62 173.60 1xy3 s VAL 34 N 1.42 4.43 -0.02 3.82 1.01 0.83 -1.86 120.40 130.02 1xy3 s VAL 34 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1xy3 s VAL 34 Cb -0.15 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1xy3 s VAL 34 CO -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 175.10 175.23 1xy3 s VAL 36 N 0.50 0.57 -0.12 0.00 1.01 -0.25 -1.45 120.40 120.66 1xy3 s VAL 36 Ca -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1xy3 s VAL 36 Cb -0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1xy3 s VAL 36 CO -0.01 0.29 -0.21 -0.76 0.00 0.00 0.00 175.10 174.41 1xy3 s LEU 37 N 1.76 2.24 0.06 3.92 1.43 -0.74 -1.70 118.68 125.65 1xy3 s LEU 37 Ca 0.03 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1xy3 s LEU 37 Cb -0.13 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1xy3 s LEU 37 CO -0.05 0.14 0.12 -0.76 0.23 0.00 0.00 176.35 176.03 1xy3 s LEU 38 N 0.49 4.01 0.14 1.79 1.43 1.00 -0.86 118.68 126.68 1xy3 s LEU 38 Ca -0.14 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1xy3 s LEU 38 Cb -0.17 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1xy3 s LEU 38 CO 0.05 0.18 -0.07 -1.61 0.23 0.00 0.00 176.35 175.14 1xy3 s GLU 39 N -2.35 1.03 0.00 1.70 2.02 -0.36 -2.57 118.70 118.18 1xy3 s GLU 39 Ca 0.30 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1xy3 s GLU 39 Cb -0.12 -0.47 0.00 0.00 0.10 0.00 0.00 34.13 33.63 1xy3 s GLU 39 CO 0.23 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1xy3 n GLY 40 N -0.18 0.63 3.58 -1.39 0.00 -1.26 -1.39 105.19 105.18 1xy3 n GLY 40 Ca -0.10 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1xy3 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xy3 s GLU 41 N -2.00 3.54 -0.01 1.61 2.02 -0.16 -4.38 118.70 119.33 1xy3 s GLU 41 Ca 0.00 -1.74 0.01 0.00 0.02 0.00 0.00 54.97 53.26 1xy3 s GLU 41 Cb 0.00 -5.45 0.01 0.00 0.10 0.00 0.00 34.13 28.80 1xy3 s GLU 41 CO 0.00 -2.77 0.73 0.44 0.02 0.00 0.00 175.26 173.67 1xy3 n ILE 42 N 6.82 0.38 -0.31 -1.63 -5.35 -1.26 -4.86 119.36 113.16 1xy3 n ILE 42 Ca 0.48 -0.40 0.08 0.00 -0.27 0.00 0.00 62.75 62.64 1xy3 n ILE 42 Cb 0.46 0.74 0.25 0.00 -1.74 0.00 0.00 39.64 39.35 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 0.61 -0.04 6.28 3.07 -1.99 -2.07 114.58 120.44 1xy3 h GLU 43 Ca 0.00 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1xy3 h GLU 43 Cb 0.90 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1xy3 h GLU 43 CO 0.00 0.40 0.08 1.79 -1.40 0.00 0.00 179.01 179.88 1xy3 h THR 44 N 0.63 0.29 0.00 1.13 1.35 -1.90 -0.32 112.91 114.09 1xy3 h THR 44 Ca 0.49 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.32 1xy3 h THR 44 Cb 0.72 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1xy3 h THR 44 CO -0.38 0.00 -0.13 0.77 -0.25 0.00 0.00 175.52 175.53 1xy3 h SER 45 N 0.00 0.00 0.03 5.36 4.64 -1.41 0.34 113.55 122.51 1xy3 h SER 45 Ca 0.02 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.02 1xy3 h SER 45 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1xy3 h SER 45 CO -0.00 0.13 -1.78 -1.22 -0.87 0.00 0.00 176.83 173.08 1xy3 n TYR 46 N -3.31 0.79 0.03 4.77 4.02 -0.19 -3.20 117.16 120.06 1xy3 n TYR 46 Ca 0.00 0.28 -0.19 0.00 -0.01 0.00 0.00 57.90 57.98 1xy3 n TYR 46 Cb 0.36 -1.09 -0.13 0.00 -0.02 0.00 0.00 39.34 38.46 1xy3 n TYR 46 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1xy3 h THR 47 N -0.69 1.46 -0.31 -0.72 1.35 -1.41 -3.37 112.91 109.21 1xy3 h THR 47 Ca -0.46 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1xy3 h THR 47 Cb 1.58 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.85 1xy3 h THR 47 CO -0.18 0.66 0.00 0.29 -0.25 0.00 0.00 175.52 176.04 1xy3 n LYS 48 N -4.17 2.50 -3.58 4.72 4.76 0.11 -4.97 118.16 117.54 1xy3 n LYS 48 Ca -0.12 -1.95 -0.27 0.00 -2.87 0.00 0.00 58.31 53.11 1xy3 n LYS 48 Cb 0.74 -1.28 0.02 0.00 -1.84 0.00 0.00 35.03 32.68 1xy3 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xy3 n ALA 49 N 0.60 -1.16 -2.77 7.82 0.00 -0.67 -4.91 120.51 119.43 1xy3 n ALA 49 Ca 0.11 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1xy3 n ALA 49 Cb 0.42 -3.87 -0.05 0.00 0.00 0.00 0.00 19.45 15.95 1xy3 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xy3 s ASP 50 N -3.01 6.25 0.00 0.00 2.15 -0.89 -4.92 116.67 116.25 1xy3 s ASP 50 Ca 0.52 -0.80 0.29 0.00 0.43 0.00 0.00 52.55 52.99 1xy3 s ASP 50 Cb -0.26 -2.34 1.25 0.00 -0.30 0.00 0.00 42.92 41.27 1xy3 s ASP 50 CO 0.64 -1.04 1.89 0.59 -0.17 0.00 0.00 175.17 177.07 1xy3 n ASN 51 N 6.66 0.29 0.28 -0.34 3.02 -1.26 -3.51 115.26 120.39 1xy3 n ASN 51 Ca -0.04 -0.30 0.13 0.00 -0.03 0.00 0.00 54.58 54.34 1xy3 n ASN 51 Cb 0.46 -0.16 0.83 0.00 -0.61 0.00 0.00 39.78 40.30 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 0.30 0.00 -0.12 6.41 4.64 -1.99 -1.34 113.55 121.45 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 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xy3 h SER 52 CO 0.00 0.04 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 1xy3 n VAL 53 N -3.89 0.14 -3.44 0.95 0.24 -1.26 -4.89 118.33 106.19 1xy3 n VAL 53 Ca -0.03 -0.41 -0.40 0.00 -2.04 0.00 0.00 64.34 61.46 1xy3 n VAL 53 Cb 0.12 0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 1xy3 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xy3 s ILE 54 N -1.86 5.20 -0.40 1.34 1.01 -0.51 -4.89 121.20 121.10 1xy3 s ILE 54 Ca 0.34 0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 1xy3 s ILE 54 Cb 0.20 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.92 1xy3 s ILE 54 CO 0.30 -0.03 1.05 -0.69 0.00 0.00 0.00 174.94 175.57 1xy3 s VAL 55 N 1.94 4.42 0.26 2.92 1.01 -1.26 -4.97 120.40 124.72 1xy3 s VAL 55 Ca 0.10 1.35 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 1xy3 s VAL 55 Cb -0.17 -4.46 -0.14 0.00 0.00 0.00 0.00 36.38 31.61 1xy3 s VAL 55 CO 0.11 -0.70 1.07 0.00 0.00 0.00 0.00 175.10 175.58 1xy3 n ALA 56 N 7.20 -0.26 0.26 5.51 0.00 -1.26 -4.83 120.51 127.12 1xy3 n ALA 56 Ca 0.10 0.41 0.10 0.00 0.00 0.00 0.00 53.44 54.05 1xy3 n ALA 56 Cb 0.48 -2.04 0.68 0.00 0.00 0.00 0.00 19.45 18.57 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 2.22 0.78 -0.56 0.00 1.35 -1.93 -0.31 112.91 114.46 1xy3 h THR 57 Ca -0.41 -0.43 -0.10 0.00 -0.55 0.00 0.00 66.41 64.92 1xy3 h THR 57 Cb 1.34 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 1xy3 h THR 57 CO 0.64 0.11 -0.06 -0.78 -0.25 0.00 0.00 175.52 175.18 1xy3 h ASP 58 N 0.00 1.00 -0.04 5.36 3.58 -1.95 -1.51 116.42 122.86 1xy3 h ASP 58 Ca -0.00 -0.30 -0.09 0.00 0.42 0.00 0.00 57.03 57.05 1xy3 h ASP 58 Cb 0.24 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1xy3 h ASP 58 CO 0.01 1.08 -0.25 0.28 -2.88 0.00 0.00 179.24 177.49 1xy3 h SER 59 N 0.91 0.45 -0.55 2.28 0.02 -1.44 -0.97 113.55 114.25 1xy3 h SER 59 Ca 0.15 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xy3 h SER 59 Cb 0.61 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1xy3 h SER 59 CO 0.04 0.70 0.29 0.40 -1.14 0.00 0.00 176.83 177.12 1xy3 h ILE 60 N 0.40 1.19 0.46 3.27 2.04 -0.82 0.16 117.51 124.21 1xy3 h ILE 60 Ca 0.06 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1xy3 h ILE 60 Cb 0.65 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1xy3 h ILE 60 CO 0.05 0.20 -0.23 0.50 0.00 0.00 0.00 178.15 178.67 1xy3 h LYS 61 N 0.74 -0.61 -0.76 2.37 3.64 -0.81 -1.83 116.57 119.31 1xy3 h LYS 61 Ca 0.19 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.76 1xy3 h LYS 61 Cb 0.06 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 31.92 1xy3 h LYS 61 CO -0.03 -0.40 0.29 -0.91 -2.27 0.00 0.00 179.45 176.13 1xy3 h ASN 62 N -0.63 0.26 -0.28 4.20 2.35 -0.88 0.74 115.58 121.35 1xy3 h ASN 62 Ca -0.06 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1xy3 h ASN 62 Cb 0.49 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1xy3 h ASN 62 CO 0.10 0.09 0.12 0.74 -1.65 0.00 0.00 177.43 176.82 1xy3 h THR 63 N 0.43 1.14 0.18 2.81 2.02 -0.30 -1.90 112.91 117.29 1xy3 h THR 63 Ca 0.42 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1xy3 h THR 63 Cb 0.65 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1xy3 h THR 63 CO -0.42 0.17 -0.09 0.40 0.37 0.00 0.00 175.52 175.95 1xy3 h ILE 64 N 0.47 0.88 -0.35 3.11 2.04 -0.01 -0.79 117.51 122.87 1xy3 h ILE 64 Ca 0.12 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1xy3 h ILE 64 Cb 0.12 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1xy3 h ILE 64 CO -0.01 0.07 0.06 1.88 0.00 0.00 0.00 178.15 180.15 1xy3 h TYR 65 N -0.40 0.10 -0.47 1.37 0.05 -1.24 -1.29 116.97 115.09 1xy3 h TYR 65 Ca -0.03 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1xy3 h TYR 65 Cb 0.31 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1xy3 h TYR 65 CO -0.02 0.01 0.28 0.82 -1.05 0.00 0.00 178.16 178.20 1xy3 h ILE 66 N 0.18 1.15 -0.86 -2.88 2.04 -1.22 -1.50 117.51 114.42 1xy3 h ILE 66 Ca 0.17 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1xy3 h ILE 66 Cb 0.19 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1xy3 h ILE 66 CO -0.22 0.16 0.51 0.74 0.00 0.00 0.00 178.15 179.33 1xy3 h THR 67 N 0.62 1.24 -0.50 -0.27 2.02 -0.80 -1.61 112.91 113.62 1xy3 h THR 67 Ca 0.17 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 1xy3 h THR 67 Cb 0.01 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1xy3 h THR 67 CO -0.03 0.25 0.14 0.00 0.37 0.00 0.00 175.52 176.25 1xy3 h ALA 68 N 1.28 1.31 -0.40 6.16 0.00 -0.86 -0.62 119.26 126.13 1xy3 h ALA 68 Ca 0.31 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xy3 h ALA 68 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1xy3 h ALA 68 CO -0.06 0.49 -0.14 -0.22 0.00 0.00 0.00 179.25 179.32 1xy3 h LYS 69 N 0.72 0.81 -0.01 0.00 1.63 -0.38 -3.23 116.57 116.11 1xy3 h LYS 69 Ca 0.16 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1xy3 h LYS 69 Cb 0.24 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1xy3 h LYS 69 CO -0.01 0.96 -0.32 1.04 -3.45 0.00 0.00 179.45 177.67 1xy3 n GLN 70 N -4.28 0.69 -4.32 1.90 6.02 -0.73 -4.95 117.38 111.71 1xy3 n GLN 70 Ca -0.01 -0.42 -0.17 0.00 -0.01 0.00 0.00 57.00 56.40 1xy3 n GLN 70 Cb 0.40 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 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 -2.60 1.36 0.16 1.08 0.01 -0.26 -5.08 114.94 109.60 1xy3 s ASN 71 Ca 0.21 -1.34 -0.30 0.00 -0.71 0.00 0.00 52.86 50.72 1xy3 s ASN 71 Cb 0.19 0.12 -0.07 0.00 0.41 0.00 0.00 41.25 41.90 1xy3 s ASN 71 CO 0.56 -0.68 1.02 -2.16 -1.51 0.00 0.00 177.10 174.33 1xy3 s PRO 72 N -3.99 4.67 0.00 -0.60 0.04 -1.26 -4.71 135.00 129.15 1xy3 s PRO 72 Ca 0.35 1.58 0.26 0.00 0.04 0.00 0.00 61.00 63.23 1xy3 s PRO 72 Cb 0.08 -3.32 0.78 0.00 0.04 0.00 0.00 34.50 32.07 1xy3 s PRO 72 CO 0.12 0.19 1.59 1.33 0.04 0.00 0.00 177.00 180.27 1xy3 n VAL 73 N 2.45 0.06 -4.17 -0.36 0.24 -1.26 -4.37 118.33 110.92 1xy3 n VAL 73 Ca 0.02 -0.35 -0.16 0.00 -2.04 0.00 0.00 64.34 61.82 1xy3 n VAL 73 Cb 0.48 0.74 -0.14 0.00 -1.47 0.00 0.00 33.84 33.44 1xy3 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xy3 s THR 74 N -1.94 0.45 0.64 3.34 -1.32 -1.26 -3.75 115.64 111.79 1xy3 s THR 74 Ca 0.35 -0.34 -0.13 0.00 -1.21 0.00 0.00 61.69 60.36 1xy3 s THR 74 Cb 0.20 -0.40 -0.02 0.00 -1.51 0.00 0.00 72.50 70.77 1xy3 s THR 74 CO 0.32 0.07 1.05 -2.16 -2.21 0.00 0.00 174.62 171.68 1xy3 s PRO 75 N -0.30 3.18 0.52 7.08 0.04 -1.26 -4.87 135.00 139.39 1xy3 s PRO 75 Ca 0.01 1.05 0.25 0.00 0.04 0.00 0.00 61.00 62.35 1xy3 s PRO 75 Cb -0.03 -2.02 1.37 0.00 0.04 0.00 0.00 34.50 33.86 1xy3 s PRO 75 CO -0.00 -0.91 1.97 -1.00 0.04 0.00 0.00 177.00 177.10 1xy3 h PRO 76 N -0.11 0.05 -0.83 0.56 0.13 -1.97 0.15 132.00 129.98 1xy3 h PRO 76 Ca -0.45 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1xy3 h PRO 76 Cb 1.21 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1xy3 h PRO 76 CO 0.57 0.04 0.49 0.93 -0.23 0.00 0.00 178.00 179.80 1xy3 h GLU 77 N 0.06 1.14 -0.01 0.86 3.07 -1.95 0.13 114.58 117.88 1xy3 h GLU 77 Ca 0.30 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1xy3 h GLU 77 Cb 1.12 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1xy3 h GLU 77 CO -0.02 0.81 -0.02 1.25 -1.40 0.00 0.00 179.01 179.62 1xy3 h LEU 78 N 1.15 0.04 -1.55 1.33 5.85 -1.34 -2.57 115.31 118.22 1xy3 h LEU 78 Ca 0.30 -0.58 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1xy3 h LEU 78 Cb -0.02 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1xy3 h LEU 78 CO -0.05 0.61 0.34 0.15 -0.34 0.00 0.00 178.44 179.15 1xy3 h PHE 79 N -0.54 0.57 -0.38 1.25 3.57 -1.20 -0.45 116.94 119.76 1xy3 h PHE 79 Ca 0.00 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1xy3 h PHE 79 Cb 0.61 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1xy3 h PHE 79 CO 0.13 0.34 -0.38 0.78 -2.23 0.00 0.00 178.31 176.95 1xy3 h GLY 80 N 0.59 1.00 0.98 2.40 0.00 -0.76 -1.95 103.07 105.33 1xy3 h GLY 80 Ca 0.20 -1.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1xy3 h GLY 80 CO -0.05 0.91 -0.12 1.76 0.00 0.00 0.00 176.54 179.04 1xy3 h SER 81 N 0.75 0.78 0.04 0.19 0.02 -0.92 0.31 113.55 114.72 1xy3 h SER 81 Ca 0.06 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1xy3 h SER 81 Cb 0.96 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1xy3 h SER 81 CO 0.09 0.97 -0.05 0.40 -1.14 0.00 0.00 176.83 177.11 1xy3 h ILE 82 N 0.57 0.89 -0.49 3.27 2.04 -1.09 0.14 117.51 122.84 1xy3 h ILE 82 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1xy3 h ILE 82 Cb 0.65 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1xy3 h ILE 82 CO 0.04 0.00 0.27 0.25 0.00 0.00 0.00 178.15 178.71 1xy3 h LEU 83 N -0.10 0.61 -0.40 1.44 5.85 -1.29 -1.87 115.31 119.54 1xy3 h LEU 83 Ca 0.01 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1xy3 h LEU 83 Cb 0.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1xy3 h LEU 83 CO -0.02 0.53 0.05 1.23 -0.34 0.00 0.00 178.44 179.89 1xy3 h GLY 84 N 0.64 0.72 1.01 3.75 0.00 -0.76 -2.96 103.07 105.47 1xy3 h GLY 84 Ca 0.17 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1xy3 h GLY 84 CO -0.03 0.45 0.58 -0.84 0.00 0.00 0.00 176.54 176.70 1xy3 h THR 85 N 0.51 1.23 -0.61 4.70 2.02 -0.59 -3.04 112.91 117.12 1xy3 h THR 85 Ca 0.12 -0.41 0.12 0.00 0.77 0.00 0.00 66.41 67.01 1xy3 h THR 85 Cb 0.39 -0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 66.64 1xy3 h THR 85 CO 0.01 0.22 0.10 -0.74 0.37 0.00 0.00 175.52 175.48 1xy3 h HIS 86 N 1.19 0.14 -0.57 3.16 6.17 -1.16 -1.98 115.15 122.10 1xy3 h HIS 86 Ca 0.32 0.04 -0.09 0.00 0.71 0.00 0.00 60.37 61.35 1xy3 h HIS 86 Cb -0.14 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.80 1xy3 h HIS 86 CO -0.01 -0.07 0.01 0.74 0.71 0.00 0.00 177.93 179.30 1xy3 h PHE 87 N 0.22 1.10 0.00 5.26 0.04 -1.56 -0.24 116.94 121.76 1xy3 h PHE 87 Ca 0.32 -0.19 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1xy3 h PHE 87 Cb 0.50 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1xy3 h PHE 87 CO -0.28 0.98 -0.42 -0.84 -0.60 0.00 0.00 178.31 177.16 1xy3 h ILE 88 N 0.90 0.86 0.00 -0.55 3.07 -1.52 -2.76 117.51 117.51 1xy3 h ILE 88 Ca 0.16 -1.75 -0.18 0.00 1.55 0.00 0.00 64.86 64.65 1xy3 h ILE 88 Cb 0.54 2.09 -0.03 0.00 -0.27 0.00 0.00 36.82 39.15 1xy3 h ILE 88 CO 0.03 0.41 -1.27 -0.33 -1.05 0.00 0.00 178.15 175.93 1xy3 h GLU 89 N 0.00 0.00 0.00 0.16 5.08 -1.25 -3.36 114.58 115.21 1xy3 h GLU 89 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1xy3 h GLU 89 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1xy3 h GLU 89 CO 0.05 0.40 -0.89 -0.22 -1.00 0.00 0.00 179.01 177.35 1xy3 h LYS 90 N 0.00 0.00 -4.75 2.33 1.63 -1.06 -3.45 116.57 111.27 1xy3 h LYS 90 Ca -0.14 0.00 -0.61 0.00 -0.85 0.00 0.00 60.65 59.05 1xy3 h LYS 90 Cb 1.62 0.00 -0.35 0.00 -0.60 0.00 0.00 32.23 32.90 1xy3 h LYS 90 CO 0.06 0.01 -0.84 0.71 -3.45 0.00 0.00 179.45 175.95 1xy3 s TYR 91 N -3.33 2.21 0.31 1.91 2.02 -1.04 -5.02 117.35 114.41 1xy3 s TYR 91 Ca 0.00 -1.20 0.05 0.00 -0.37 0.00 0.00 57.07 55.56 1xy3 s TYR 91 Cb 0.09 -1.60 0.53 0.00 -0.40 0.00 0.00 41.96 40.58 1xy3 s TYR 91 CO 0.78 -0.63 1.77 -0.91 -1.57 0.00 0.00 175.55 174.99 1xy3 h ASN 92 N 7.85 0.36 -0.25 2.29 2.35 -1.87 -2.85 115.58 123.45 1xy3 h ASN 92 Ca -0.37 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1xy3 h ASN 92 Cb 1.15 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1xy3 h ASN 92 CO 0.53 0.61 0.00 0.00 -1.65 0.00 0.00 177.43 176.92 1xy3 n HIS 93 N -4.14 0.33 -3.72 1.19 1.44 -1.26 -4.79 115.22 104.26 1xy3 n HIS 93 Ca -0.01 -0.16 -0.37 0.00 -2.01 0.00 0.00 57.72 55.17 1xy3 n HIS 93 Cb 0.38 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.37 1xy3 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xy3 s ILE 94 N -1.67 4.60 -0.22 0.61 -1.09 -1.08 -0.98 121.20 121.37 1xy3 s ILE 94 Ca 0.31 -0.07 0.08 0.00 -2.23 0.00 0.00 60.65 58.74 1xy3 s ILE 94 Cb 0.17 -3.16 -0.11 0.00 -1.58 0.00 0.00 42.46 37.78 1xy3 s ILE 94 CO 0.24 0.32 0.27 1.41 -1.23 0.00 0.00 174.94 175.96 1xy3 n HIS 95 N 4.90 0.00 -3.80 3.97 8.25 -0.48 -4.60 115.22 123.45 1xy3 n HIS 95 Ca -0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.18 1xy3 n HIS 95 Cb 0.52 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.14 -0.57 -0.08 -1.41 0.00 -1.14 -1.35 121.76 115.06 1xy3 s ALA 96 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1xy3 s ALA 96 Cb 0.06 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1xy3 s ALA 96 CO 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 175.76 175.95 1xy3 s ALA 97 N -0.45 0.73 -0.34 0.00 0.00 -0.65 -1.22 121.76 119.84 1xy3 s ALA 97 Ca -0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 1xy3 s ALA 97 Cb -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1xy3 s ALA 97 CO 0.01 -0.52 0.15 -1.01 0.00 0.00 0.00 175.76 174.39 1xy3 s HIS 98 N 1.96 3.21 -0.18 0.00 3.76 -0.04 -1.46 115.29 122.55 1xy3 s HIS 98 Ca 0.05 -1.00 -0.04 0.00 -0.15 0.00 0.00 55.06 53.92 1xy3 s HIS 98 Cb -0.13 -2.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 1xy3 s HIS 98 CO -0.06 -0.62 -0.04 0.08 -0.85 0.00 0.00 174.74 173.26 1xy3 s VAL 99 N 1.52 3.75 -0.11 -0.90 1.01 0.00 -1.79 120.40 123.87 1xy3 s VAL 99 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1xy3 s VAL 99 Cb -0.18 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1xy3 s VAL 99 CO 0.05 0.47 -0.19 0.21 0.00 0.00 0.00 175.10 175.63 1xy3 s ASN 100 N 0.71 3.50 -0.04 3.32 2.47 -0.53 0.08 114.94 124.45 1xy3 s ASN 100 Ca -0.02 -0.46 0.03 0.00 0.42 0.00 0.00 52.86 52.84 1xy3 s ASN 100 Cb -0.14 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1xy3 s ASN 100 CO 0.02 0.16 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.80 1xy3 s ILE 101 N 0.35 1.16 -0.20 -5.21 1.01 -0.11 -1.35 121.20 116.85 1xy3 s ILE 101 Ca -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1xy3 s ILE 101 Cb -0.17 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.30 1xy3 s ILE 101 CO 0.07 0.35 -0.15 -0.69 0.00 0.00 0.00 174.94 174.52 1xy3 s VAL 102 N 0.27 2.39 -0.13 2.92 1.01 -0.78 -1.71 120.40 124.37 1xy3 s VAL 102 Ca -0.07 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1xy3 s VAL 102 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1xy3 s VAL 102 CO 0.02 0.43 0.37 0.00 0.00 0.00 0.00 175.10 175.93 1xy3 s HIS 104 N 0.45 3.44 0.10 0.00 3.76 -0.94 -2.99 115.29 119.11 1xy3 s HIS 104 Ca 0.21 0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 55.08 1xy3 s HIS 104 Cb -0.14 -1.76 -0.06 0.00 1.11 0.00 0.00 32.58 31.73 1xy3 s HIS 104 CO 0.07 0.60 0.96 1.03 -0.85 0.00 0.00 174.74 176.54 1xy3 s ARG 105 N -2.11 4.68 -0.44 1.40 0.52 -1.26 -4.54 118.95 117.20 1xy3 s ARG 105 Ca 0.29 1.44 0.06 0.00 -0.52 0.00 0.00 55.73 57.00 1xy3 s ARG 105 Cb -0.13 -3.38 0.22 0.00 0.52 0.00 0.00 34.95 32.18 1xy3 s ARG 105 CO 0.21 0.20 0.48 0.91 0.02 0.00 0.00 175.30 177.12 1xy3 n TRP 106 N 2.87 0.08 -2.34 -0.53 5.03 -1.26 -4.38 117.44 116.90 1xy3 n TRP 106 Ca 0.02 -3.58 -0.42 0.00 3.03 0.00 0.00 57.50 56.55 1xy3 n TRP 106 Cb 0.49 -0.19 -0.03 0.00 -1.03 0.00 0.00 31.31 30.56 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 -0.93 3.76 0.25 -0.99 2.01 -0.19 -4.70 115.64 114.85 1xy3 s THR 107 Ca 0.34 1.29 -0.31 0.00 0.31 0.00 0.00 61.69 63.32 1xy3 s THR 107 Cb 0.11 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.68 1xy3 s THR 107 CO -0.13 0.11 1.62 -0.60 -0.69 0.00 0.00 174.62 174.93 1xy3 s ARG 108 N 0.89 4.14 0.29 4.92 3.52 -1.26 -0.44 118.95 131.01 1xy3 s ARG 108 Ca 0.60 2.55 -0.29 0.00 -0.13 0.00 0.00 55.73 58.46 1xy3 s ARG 108 Cb -0.32 -3.06 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 1xy3 s ARG 108 CO 0.31 -0.65 1.10 -1.64 -0.81 0.00 0.00 175.30 173.60 1xy3 s MET 109 N 0.16 4.60 -0.38 5.12 -1.94 -0.31 -4.85 119.30 121.70 1xy3 s MET 109 Ca 0.67 1.80 -0.12 0.00 -1.71 0.00 0.00 55.69 56.33 1xy3 s MET 109 Cb -0.48 -3.14 0.02 0.00 2.01 0.00 0.00 34.83 33.24 1xy3 s MET 109 CO 0.41 0.18 0.23 -0.51 -0.01 0.00 0.00 175.02 175.32 1xy3 s ASP 110 N -0.91 5.84 -0.25 3.03 1.01 -1.26 -0.12 116.67 124.00 1xy3 s ASP 110 Ca 0.45 -0.94 -0.04 0.00 0.71 0.00 0.00 52.55 52.73 1xy3 s ASP 110 Cb -0.32 -2.06 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1xy3 s ASP 110 CO 0.41 -0.39 -0.01 -0.63 0.21 0.00 0.00 175.17 174.75 1xy3 s ILE 111 N 1.59 3.41 -1.41 0.77 -1.09 -0.01 -4.54 121.20 119.92 1xy3 s ILE 111 Ca 0.03 -0.72 -0.02 0.00 -2.23 0.00 0.00 60.65 57.71 1xy3 s ILE 111 Cb -0.19 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 1xy3 s ILE 111 CO 0.08 0.24 0.27 0.47 -1.23 0.00 0.00 174.94 174.77 1xy3 n ASP 112 N 4.78 -5.31 -0.14 3.58 8.00 -1.26 -2.37 116.55 123.83 1xy3 n ASP 112 Ca -0.16 -0.13 -0.02 0.00 0.71 0.00 0.00 54.79 55.19 1xy3 n ASP 112 Cb 0.49 -4.27 -0.01 0.00 -0.02 0.00 0.00 41.12 37.32 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 -1.22 0.44 2.96 0.44 0.00 -1.26 -5.04 105.19 101.51 1xy3 n GLY 113 Ca -0.15 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1xy3 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xy3 s LYS 114 N -2.70 0.12 0.10 1.61 1.02 -1.00 -5.12 119.74 113.77 1xy3 s LYS 114 Ca 0.00 0.33 -0.31 0.00 0.02 0.00 0.00 55.97 56.01 1xy3 s LYS 114 Cb 0.00 -0.10 -0.10 0.00 -0.52 0.00 0.00 37.83 37.11 1xy3 s LYS 114 CO 0.00 -0.12 1.88 -2.30 -0.92 0.00 0.00 175.35 173.88 1xy3 n PRO 115 N 3.86 2.81 -2.51 -1.68 -0.02 -1.26 -0.83 135.00 135.38 1xy3 n PRO 115 Ca -0.22 1.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1xy3 n PRO 115 Cb 0.54 -2.93 -0.04 0.00 -0.02 0.00 0.00 33.50 31.04 1xy3 n PRO 115 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1xy3 s HIS 116 N 3.19 3.61 0.12 6.00 2.46 0.83 -4.90 115.29 126.60 1xy3 s HIS 116 Ca 0.84 1.66 0.34 0.00 0.47 0.00 0.00 55.06 58.37 1xy3 s HIS 116 Cb -0.47 -3.26 1.58 0.00 -0.13 0.00 0.00 32.58 30.29 1xy3 s HIS 116 CO 0.39 -0.53 2.01 -1.00 -2.47 0.00 0.00 174.74 173.14 1xy3 h PRO 117 N 4.45 0.00 -0.03 2.88 0.13 -1.92 -3.37 132.00 134.15 1xy3 h PRO 117 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 1xy3 h PRO 117 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1xy3 h PRO 117 CO 0.70 0.00 -0.39 -2.39 -0.23 0.00 0.00 178.00 175.69 1xy3 n HIS 118 N -2.82 -0.76 -4.78 1.56 1.44 -1.26 -0.56 115.22 108.03 1xy3 n HIS 118 Ca -0.00 -1.10 -0.25 0.00 -2.01 0.00 0.00 57.72 54.36 1xy3 n HIS 118 Cb 0.19 0.84 -0.16 0.00 0.12 0.00 0.00 29.99 30.98 1xy3 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1xy3 s SER 119 N -1.30 2.03 0.15 4.39 0.01 -1.26 -5.04 113.70 112.68 1xy3 s SER 119 Ca 0.08 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.05 1xy3 s SER 119 Cb 0.23 -0.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 1xy3 s SER 119 CO -0.07 0.15 -0.07 -0.36 0.41 0.00 0.00 173.24 173.30 1xy3 s PHE 120 N 0.02 1.24 -0.01 2.43 0.40 -1.26 -1.16 117.98 119.64 1xy3 s PHE 120 Ca -0.03 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1xy3 s PHE 120 Cb -0.11 -0.67 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 1xy3 s PHE 120 CO 0.02 -0.01 -0.05 -1.50 0.70 0.00 0.00 175.22 174.37 1xy3 s ILE 121 N -3.43 0.43 -0.95 0.64 2.07 0.41 -4.85 121.20 115.51 1xy3 s ILE 121 Ca 0.18 -0.21 -0.21 0.00 -1.41 0.00 0.00 60.65 59.01 1xy3 s ILE 121 Cb 0.04 -0.38 0.09 0.00 0.13 0.00 0.00 42.46 42.34 1xy3 s ILE 121 CO 0.01 0.13 1.27 -0.60 -1.91 0.00 0.00 174.94 173.84 1xy3 s ARG 122 N 0.02 3.57 -0.00 3.50 6.06 -1.26 -1.02 118.95 129.81 1xy3 s ARG 122 Ca 0.00 -1.41 -0.18 0.00 -2.50 0.00 0.00 55.73 51.64 1xy3 s ARG 122 Cb -0.04 -5.07 -0.10 0.00 0.06 0.00 0.00 34.95 29.80 1xy3 s ARG 122 CO -0.00 -1.97 0.88 0.38 -2.50 0.00 0.00 175.30 172.08 1xy3 h ASP 123 N 9.31 -0.55 -1.66 -2.12 2.03 -1.92 -3.47 116.42 118.05 1xy3 h ASP 123 Ca 0.15 0.02 -0.51 0.00 -0.73 0.00 0.00 57.03 55.96 1xy3 h ASP 123 Cb 1.02 0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 39.62 1xy3 h ASP 123 CO 1.26 -0.24 -0.43 -0.44 -1.03 0.00 0.00 179.24 178.36 1xy3 s SER 124 N -4.13 5.01 -0.02 4.15 0.01 -1.26 -4.98 113.70 112.49 1xy3 s SER 124 Ca -0.10 -0.71 0.22 0.00 1.31 0.00 0.00 55.95 56.67 1xy3 s SER 124 Cb 0.01 -0.69 0.65 0.00 0.21 0.00 0.00 66.02 66.20 1xy3 s SER 124 CO 0.29 -0.52 1.55 -0.62 0.41 0.00 0.00 173.24 174.34 1xy3 n GLU 125 N -1.43 2.83 -2.52 12.44 -0.58 -1.26 -4.65 120.64 125.47 1xy3 n GLU 125 Ca 0.01 -2.64 -0.41 0.00 -0.42 0.00 0.00 57.16 53.70 1xy3 n GLU 125 Cb 0.61 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.83 1xy3 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1xy3 s GLU 126 N -1.15 4.65 0.37 3.49 2.12 -1.24 -4.78 118.70 122.16 1xy3 s GLU 126 Ca 0.49 1.73 0.08 0.00 0.36 0.00 0.00 54.97 57.64 1xy3 s GLU 126 Cb 0.26 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.35 1xy3 s GLU 126 CO 0.32 0.19 0.01 0.15 -0.54 0.00 0.00 175.26 175.39 1xy3 s LYS 127 N -0.99 2.00 -0.10 4.30 -0.14 0.03 -4.47 119.74 120.37 1xy3 s LYS 127 Ca 0.46 -1.92 0.01 0.00 -1.36 0.00 0.00 55.97 53.15 1xy3 s LYS 127 Cb -0.30 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.08 1xy3 s LYS 127 CO 0.38 0.04 -0.10 0.50 -0.76 0.00 0.00 175.35 175.41 1xy3 s ARG 128 N -3.72 1.68 0.36 1.68 3.52 -1.16 -2.34 118.95 118.96 1xy3 s ARG 128 Ca 0.35 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1xy3 s ARG 128 Cb 0.04 -1.57 -0.06 0.00 -1.56 0.00 0.00 34.95 31.80 1xy3 s ARG 128 CO 0.19 -0.15 0.06 -0.80 -0.81 0.00 0.00 175.30 173.79 1xy3 s ASN 129 N 1.28 2.71 -0.14 -2.12 -0.87 -0.02 -0.01 114.94 115.77 1xy3 s ASN 129 Ca -0.03 -1.43 -0.18 0.00 -1.57 0.00 0.00 52.86 49.66 1xy3 s ASN 129 Cb -0.14 -0.01 0.05 0.00 -0.02 0.00 0.00 41.25 41.13 1xy3 s ASN 129 CO -0.04 -0.65 0.47 0.68 -2.57 0.00 0.00 177.10 175.00 1xy3 s VAL 130 N -3.19 0.01 -0.16 1.60 -7.23 -0.69 -2.35 120.40 108.39 1xy3 s VAL 130 Ca 0.33 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.43 1xy3 s VAL 130 Cb 0.08 -0.69 0.02 0.00 0.56 0.00 0.00 36.38 36.34 1xy3 s VAL 130 CO 0.15 -0.04 -0.18 -1.58 -0.31 0.00 0.00 175.10 173.14 1xy3 s GLN 131 N -0.14 2.71 -0.21 4.82 0.74 -0.71 -0.93 119.66 125.95 1xy3 s GLN 131 Ca -0.03 -0.72 0.01 0.00 0.05 0.00 0.00 55.36 54.67 1xy3 s GLN 131 Cb -0.03 -2.36 0.04 0.00 1.10 0.00 0.00 33.01 31.76 1xy3 s GLN 131 CO 0.02 -0.19 -0.13 0.08 -0.55 0.00 0.00 175.29 174.52 1xy3 s VAL 132 N 1.29 1.88 -0.36 1.34 1.01 0.11 -1.15 120.40 124.52 1xy3 s VAL 132 Ca 0.03 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 1xy3 s VAL 132 Cb -0.13 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1xy3 s VAL 132 CO -0.10 0.21 0.20 -1.81 0.00 0.00 0.00 175.10 173.59 1xy3 s ASP 133 N 1.30 5.71 -0.43 3.32 1.01 0.16 -0.82 116.67 126.91 1xy3 s ASP 133 Ca -0.02 -0.87 -0.10 0.00 0.71 0.00 0.00 52.55 52.27 1xy3 s ASP 133 Cb -0.16 -2.03 0.08 0.00 1.01 0.00 0.00 42.92 41.82 1xy3 s ASP 133 CO -0.09 -0.34 0.29 -0.69 0.21 0.00 0.00 175.17 174.55 1xy3 s VAL 134 N 1.58 4.39 -0.16 -1.27 1.01 -0.54 -0.87 120.40 124.54 1xy3 s VAL 134 Ca 0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.60 1xy3 s VAL 134 Cb -0.19 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1xy3 s VAL 134 CO 0.07 -0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 173.84 1xy3 s VAL 135 N 1.45 3.23 -0.21 2.92 1.01 -1.09 -1.63 120.40 126.08 1xy3 s VAL 135 Ca 0.03 -0.58 -0.39 0.00 0.00 0.00 0.00 61.98 61.05 1xy3 s VAL 135 Cb -0.24 -2.40 -0.15 0.00 0.00 0.00 0.00 36.38 33.59 1xy3 s VAL 135 CO 0.02 0.49 1.74 1.21 0.00 0.00 0.00 175.10 178.57 1xy3 n GLU 136 N 3.97 1.39 -1.00 2.72 2.13 -0.46 -0.86 120.64 128.53 1xy3 n GLU 136 Ca -0.18 0.51 -0.00 0.00 0.66 0.00 0.00 57.16 58.15 1xy3 n GLU 136 Cb 0.52 -2.23 -0.00 0.00 0.27 0.00 0.00 31.44 30.00 1xy3 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xy3 n GLY 137 N 4.12 0.39 0.00 8.31 0.00 -1.26 -4.83 105.19 111.91 1xy3 n GLY 137 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.02 1.39 0.00 1.61 5.02 -0.04 -5.14 118.16 118.99 1xy3 n LYS 138 Ca -0.00 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1xy3 n LYS 138 Cb 0.13 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1xy3 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 139 N -0.23 -1.01 3.32 0.72 0.00 -1.16 -4.83 105.19 101.99 1xy3 n GLY 139 Ca 0.00 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 3.11 -0.22 -0.61 1.01 0.19 -2.68 121.20 122.00 1xy3 s ILE 140 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 1xy3 s ILE 140 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1xy3 s ILE 140 CO 0.00 0.48 0.11 -1.81 0.00 0.00 0.00 174.94 173.72 1xy3 s ASP 141 N 0.99 5.81 -0.10 3.58 1.01 -0.05 -1.23 116.67 126.68 1xy3 s ASP 141 Ca -0.01 0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.33 1xy3 s ASP 141 Cb -0.15 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.76 1xy3 s ASP 141 CO -0.01 0.09 -0.18 -0.63 0.21 0.00 0.00 175.17 174.66 1xy3 s ILE 142 N 0.89 1.64 -0.30 0.77 1.01 -1.26 -0.67 121.20 123.27 1xy3 s ILE 142 Ca 0.06 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1xy3 s ILE 142 Cb -0.13 -1.47 0.08 0.00 0.01 0.00 0.00 42.46 40.95 1xy3 s ILE 142 CO 0.03 0.47 -0.02 -0.54 0.00 0.00 0.00 174.94 174.88 1xy3 s LYS 143 N 0.76 1.85 0.22 2.79 1.02 -0.30 -1.38 119.74 124.70 1xy3 s LYS 143 Ca -0.11 -1.63 -0.05 0.00 0.02 0.00 0.00 55.97 54.21 1xy3 s LYS 143 Cb -0.16 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1xy3 s LYS 143 CO 0.02 -0.77 0.46 -1.12 -0.92 0.00 0.00 175.35 173.02 1xy3 s SER 144 N 1.02 6.47 0.03 2.83 0.01 -0.71 -1.73 113.70 121.62 1xy3 s SER 144 Ca 0.02 0.64 -0.27 0.00 1.31 0.00 0.00 55.95 57.64 1xy3 s SER 144 Cb -0.20 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 64.02 1xy3 s SER 144 CO -0.06 -0.07 0.81 -0.94 0.41 0.00 0.00 173.24 173.39 1xy3 s SER 145 N -2.81 -0.43 0.10 2.44 1.04 -0.99 0.39 113.70 113.43 1xy3 s SER 145 Ca 0.42 0.05 0.10 0.00 0.48 0.00 0.00 55.95 57.01 1xy3 s SER 145 Cb -0.11 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 1xy3 s SER 145 CO 0.27 -0.70 -0.27 -1.48 0.98 0.00 0.00 173.24 172.04 1xy3 s LEU 146 N -2.43 2.27 0.13 2.42 0.05 -0.01 -0.84 118.68 120.28 1xy3 s LEU 146 Ca 0.03 -0.70 -0.17 0.00 0.05 0.00 0.00 54.13 53.34 1xy3 s LEU 146 Cb -0.01 -1.23 0.04 0.00 -2.05 0.00 0.00 46.19 42.94 1xy3 s LEU 146 CO -0.09 0.20 0.43 -0.94 -0.55 0.00 0.00 176.35 175.41 1xy3 s SER 147 N -1.80 -0.28 -0.46 1.48 1.04 -0.99 -1.64 113.70 111.06 1xy3 s SER 147 Ca 0.13 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.27 1xy3 s SER 147 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1xy3 s SER 147 CO 0.05 -0.88 0.07 0.61 0.98 0.00 0.00 173.24 174.06 1xy3 n GLY 148 N -0.25 0.22 3.40 7.32 0.00 -1.15 -0.79 105.19 113.94 1xy3 n GLY 148 Ca -0.16 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.85 5.30 -0.22 0.99 2.96 -1.23 -3.61 118.68 121.02 1xy3 s LEU 149 Ca 0.03 -1.15 -0.09 0.00 -0.22 0.00 0.00 54.13 52.71 1xy3 s LEU 149 Cb -0.01 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1xy3 s LEU 149 CO 0.04 -0.54 0.11 -0.89 -1.32 0.00 0.00 176.35 173.76 1xy3 s THR 150 N 1.63 5.04 0.18 3.68 2.01 -1.26 -0.15 115.64 126.76 1xy3 s THR 150 Ca 0.04 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1xy3 s THR 150 Cb -0.22 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1xy3 s THR 150 CO 0.08 0.39 0.01 0.68 -0.69 0.00 0.00 174.62 175.09 1xy3 s VAL 151 N 0.81 0.65 -0.24 3.82 -7.23 -0.95 -5.02 120.40 112.24 1xy3 s VAL 151 Ca 0.06 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 58.04 1xy3 s VAL 151 Cb -0.13 -2.15 0.06 0.00 0.56 0.00 0.00 36.38 34.73 1xy3 s VAL 151 CO 0.02 -0.45 0.62 -0.22 -0.31 0.00 0.00 175.10 174.77 1xy3 s LEU 152 N -3.18 -0.42 -0.13 1.32 0.20 -1.26 -1.95 118.68 113.27 1xy3 s LEU 152 Ca 0.25 1.27 -0.01 0.00 0.69 0.00 0.00 54.13 56.33 1xy3 s LEU 152 Cb 0.06 2.14 0.03 0.00 -0.43 0.00 0.00 46.19 47.99 1xy3 s LEU 152 CO 0.04 -0.22 -0.06 -1.59 -0.29 0.00 0.00 176.35 174.23 1xy3 s LYS 153 N 0.43 1.41 0.51 1.98 -2.85 0.11 -5.00 119.74 116.34 1xy3 s LYS 153 Ca -0.01 -0.30 0.27 0.00 -1.00 0.00 0.00 55.97 54.93 1xy3 s LYS 153 Cb -0.04 -1.66 1.38 0.00 -2.06 0.00 0.00 37.83 35.44 1xy3 s LYS 153 CO -0.01 -0.32 2.04 0.66 0.10 0.00 0.00 175.35 177.83 1xy3 h SER 154 N 8.18 0.00 -2.31 0.03 4.64 -1.88 -1.65 113.55 120.55 1xy3 h SER 154 Ca -0.27 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 1xy3 h SER 154 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1xy3 h SER 154 CO 0.39 0.13 -0.06 1.07 -0.87 0.00 0.00 176.83 177.49 1xy3 n THR 155 N -3.63 0.00 -3.41 2.95 5.66 -1.26 -4.08 114.28 110.51 1xy3 n THR 155 Ca -0.02 -0.40 -0.17 0.00 -3.05 0.00 0.00 64.05 60.41 1xy3 n THR 155 Cb 0.26 0.22 0.08 0.00 -1.55 0.00 0.00 70.33 69.34 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 -2.44 -3.12 -3.67 1.09 4.13 -1.26 -4.87 115.26 105.11 1xy3 n ASN 156 Ca 0.01 -0.67 -0.11 0.00 1.68 0.00 0.00 54.58 55.50 1xy3 n ASN 156 Cb 0.11 -5.03 -0.09 0.00 -1.54 0.00 0.00 39.78 33.24 1xy3 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xy3 s SER 157 N -4.11 -0.68 0.13 6.41 0.15 -1.26 -4.03 113.70 110.31 1xy3 s SER 157 Ca 0.12 1.19 0.01 0.00 0.70 0.00 0.00 55.95 57.97 1xy3 s SER 157 Cb -0.02 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.37 1xy3 s SER 157 CO 0.74 -0.21 -0.03 -1.10 1.20 0.00 0.00 173.24 173.85 1xy3 s GLN 158 N 0.99 0.93 -0.27 5.44 -0.21 -0.36 -1.61 119.66 124.58 1xy3 s GLN 158 Ca -0.06 -1.41 -0.01 0.00 0.02 0.00 0.00 55.36 53.90 1xy3 s GLN 158 Cb -0.05 -0.16 0.14 0.00 1.00 0.00 0.00 33.01 33.94 1xy3 s GLN 158 CO -0.09 -0.09 0.35 0.12 -2.12 0.00 0.00 175.29 173.46 1xy3 s PHE 159 N -3.70 -0.73 0.09 0.91 5.36 -0.82 -4.01 117.98 115.08 1xy3 s PHE 159 Ca 0.17 0.32 -0.20 0.00 -0.96 0.00 0.00 56.93 56.26 1xy3 s PHE 159 Cb 0.06 -0.21 0.05 0.00 -0.34 0.00 0.00 43.02 42.58 1xy3 s PHE 159 CO -0.01 -0.85 0.50 1.67 -1.46 0.00 0.00 175.22 175.06 1xy3 s TRP 160 N 2.47 -0.38 0.00 10.12 1.48 -1.26 0.26 118.94 131.64 1xy3 s TRP 160 Ca 0.10 0.26 0.00 0.00 -1.06 0.00 0.00 56.10 55.40 1xy3 s TRP 160 Cb -0.14 0.36 0.00 0.00 -1.16 0.00 0.00 33.47 32.53 1xy3 s TRP 160 CO -0.25 -0.70 0.00 0.41 -4.06 0.00 0.00 176.95 172.35 1xy3 n GLY 161 N 0.06 0.71 3.70 3.67 0.00 -1.26 -5.03 105.19 107.04 1xy3 n GLY 161 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1xy3 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xy3 s PHE 162 N -2.30 2.09 0.49 1.61 -0.71 -1.26 -4.95 117.98 112.95 1xy3 s PHE 162 Ca 0.00 1.52 -0.23 0.00 -1.04 0.00 0.00 56.93 57.17 1xy3 s PHE 162 Cb 0.00 -3.17 -0.07 0.00 -1.21 0.00 0.00 43.02 38.56 1xy3 s PHE 162 CO 0.00 -2.48 1.32 -0.11 -1.34 0.00 0.00 175.22 172.61 1xy3 n LEU 163 N -3.98 4.81 -3.81 -1.99 0.00 -1.26 -5.02 117.00 105.75 1xy3 n LEU 163 Ca 0.09 1.04 -0.24 0.00 0.00 0.00 0.00 56.01 56.89 1xy3 n LEU 163 Cb 0.53 -1.54 -0.17 0.00 0.00 0.00 0.00 43.42 42.24 1xy3 n LEU 163 CO 0.53 -0.61 -0.40 -0.13 0.00 0.00 0.00 177.39 176.78 1xy3 s ARG 164 N -2.56 0.86 0.00 1.96 0.52 -1.26 -4.98 118.95 113.49 1xy3 s ARG 164 Ca 0.66 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1xy3 s ARG 164 Cb -0.45 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 33.82 1xy3 s ARG 164 CO 0.54 -0.31 0.00 -0.40 0.02 0.00 0.00 175.30 175.15 1xy3 n ASP 165 N 5.09 0.19 0.00 0.23 5.68 -1.26 -5.00 116.55 121.47 1xy3 n ASP 165 Ca -0.09 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.31 1xy3 n ASP 165 Cb 0.50 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.13 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 0.78 -0.02 0.11 0.00 -1.26 -2.26 120.64 117.98 1xy3 n GLU 166 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.22 1xy3 n GLU 166 Cb 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 31.44 30.07 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 -0.94 0.06 -3.68 -1.84 4.01 -1.26 -4.98 117.16 108.53 1xy3 n TYR 167 Ca 0.16 -0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 57.48 1xy3 n TYR 167 Cb 0.08 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 1xy3 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xy3 s THR 168 N -1.01 5.37 0.00 -0.72 2.01 -0.96 -4.92 115.64 115.42 1xy3 s THR 168 Ca 0.16 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1xy3 s THR 168 Cb 0.10 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1xy3 s THR 168 CO 0.15 0.46 0.00 0.35 -0.69 0.00 0.00 174.62 174.90 1xy3 n THR 169 N 3.16 0.00 -1.89 -0.82 -2.24 -1.26 -4.84 114.28 106.39 1xy3 n THR 169 Ca -0.15 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1xy3 n THR 169 Cb 0.53 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.29 4.37 0.29 3.22 2.96 -1.26 -5.01 118.68 121.96 1xy3 s LEU 170 Ca 0.00 2.71 -0.20 0.00 -0.22 0.00 0.00 54.13 56.41 1xy3 s LEU 170 Cb 0.00 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 1xy3 s LEU 170 CO 0.00 -0.84 0.80 -0.54 -1.32 0.00 0.00 176.35 174.45 1xy3 s LYS 171 N 0.72 4.28 0.52 1.98 1.02 -1.26 -5.05 119.74 121.95 1xy3 s LYS 171 Ca 0.68 0.97 -0.19 0.00 0.02 0.00 0.00 55.97 57.45 1xy3 s LYS 171 Cb -0.45 -2.69 -0.07 0.00 -0.52 0.00 0.00 37.83 34.10 1xy3 s LYS 171 CO 0.35 0.27 1.07 -1.21 -0.92 0.00 0.00 175.35 174.91 1xy3 s GLU 172 N -2.33 3.59 0.04 1.68 2.02 -1.26 -4.99 118.70 117.45 1xy3 s GLU 172 Ca 0.49 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.89 1xy3 s GLU 172 Cb -0.15 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 1xy3 s GLU 172 CO 0.20 -0.62 -0.04 -0.08 0.02 0.00 0.00 175.26 174.74 1xy3 s THR 173 N -1.99 0.29 -0.09 3.63 -1.32 0.14 -4.97 115.64 111.33 1xy3 s THR 173 Ca 0.68 -1.31 0.13 0.00 -1.21 0.00 0.00 61.69 59.98 1xy3 s THR 173 Cb -0.18 -0.85 0.20 0.00 -1.51 0.00 0.00 72.50 70.16 1xy3 s THR 173 CO 0.25 -0.66 1.10 0.79 -2.21 0.00 0.00 174.62 173.89 1xy3 n TRP 174 N 0.96 0.00 -3.51 9.09 8.01 -1.26 -1.95 117.44 128.78 1xy3 n TRP 174 Ca -0.20 -0.83 -0.00 0.00 -1.31 0.00 0.00 57.50 55.16 1xy3 n TRP 174 Cb 0.57 -0.12 -0.05 0.00 -2.01 0.00 0.00 31.31 29.70 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 -2.27 -0.57 0.07 -0.99 2.15 -1.24 -4.79 116.67 109.03 1xy3 s ASP 175 Ca 0.22 0.83 -0.27 0.00 0.43 0.00 0.00 52.55 53.75 1xy3 s ASP 175 Cb 0.19 1.49 0.09 0.00 -0.30 0.00 0.00 42.92 44.38 1xy3 s ASP 175 CO 0.02 -0.12 0.86 0.00 -0.17 0.00 0.00 175.17 175.76 1xy3 s ARG 176 N 1.99 1.01 0.03 4.34 1.70 -0.64 -4.97 118.95 122.41 1xy3 s ARG 176 Ca -0.05 -0.44 -0.27 0.00 -0.47 0.00 0.00 55.73 54.50 1xy3 s ARG 176 Cb -0.05 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1xy3 s ARG 176 CO -0.16 -0.45 0.85 0.42 -1.08 0.00 0.00 175.30 174.88 1xy3 s ILE 177 N -3.27 4.78 -0.23 4.99 1.01 -1.26 -4.12 121.20 123.10 1xy3 s ILE 177 Ca 0.06 1.80 0.01 0.00 0.00 0.00 0.00 60.65 62.52 1xy3 s ILE 177 Cb -0.01 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1xy3 s ILE 177 CO -0.06 0.28 -0.12 -0.22 0.00 0.00 0.00 174.94 174.82 1xy3 s LEU 178 N 0.39 2.97 0.01 2.97 2.96 -0.62 -4.80 118.68 122.56 1xy3 s LEU 178 Ca 0.44 -0.97 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1xy3 s LEU 178 Cb -0.21 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1xy3 s LEU 178 CO 0.25 -0.11 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.51 1xy3 s SER 179 N 1.24 1.21 -0.13 3.68 0.15 -1.26 -0.71 113.70 117.88 1xy3 s SER 179 Ca -0.01 -0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.03 1xy3 s SER 179 Cb -0.17 -0.09 0.12 0.00 -1.71 0.00 0.00 66.02 64.17 1xy3 s SER 179 CO -0.07 0.05 0.99 0.28 1.20 0.00 0.00 173.24 175.68 1xy3 s THR 180 N -0.56 0.00 0.31 6.45 -1.32 -0.82 -1.23 115.64 118.48 1xy3 s THR 180 Ca 0.01 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1xy3 s THR 180 Cb -0.06 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.86 1xy3 s THR 180 CO 0.00 0.00 0.68 -1.81 -2.21 0.00 0.00 174.62 171.28 1xy3 s ASP 181 N -1.48 6.65 -0.11 8.08 1.01 -1.07 -2.24 116.67 127.50 1xy3 s ASP 181 Ca 0.01 1.10 0.03 0.00 0.71 0.00 0.00 52.55 54.40 1xy3 s ASP 181 Cb -0.01 -2.30 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 1xy3 s ASP 181 CO -0.01 -0.22 -0.22 -0.69 0.21 0.00 0.00 175.17 174.24 1xy3 s VAL 182 N -2.04 2.23 -0.36 -1.27 1.01 0.79 -3.69 120.40 117.06 1xy3 s VAL 182 Ca 0.51 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1xy3 s VAL 182 Cb -0.11 -1.87 0.11 0.00 0.00 0.00 0.00 36.38 34.52 1xy3 s VAL 182 CO 0.23 0.55 0.14 -0.62 0.00 0.00 0.00 175.10 175.40 1xy3 s ASP 183 N 0.37 3.97 -0.11 3.32 -1.08 -1.15 -2.94 116.67 119.05 1xy3 s ASP 183 Ca -0.17 -2.04 -0.01 0.00 -0.52 0.00 0.00 52.55 49.81 1xy3 s ASP 183 Cb -0.18 -1.00 -0.03 0.00 -1.46 0.00 0.00 42.92 40.26 1xy3 s ASP 183 CO 0.08 -0.36 -0.07 0.00 0.52 0.00 0.00 175.17 175.34 1xy3 s ALA 184 N 1.10 2.92 0.03 3.66 0.00 -0.65 -1.73 121.76 127.08 1xy3 s ALA 184 Ca 0.13 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1xy3 s ALA 184 Cb -0.20 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1xy3 s ALA 184 CO -0.14 0.40 -0.15 0.99 0.00 0.00 0.00 175.76 176.86 1xy3 s THR 185 N -0.23 1.21 -0.09 0.00 2.01 -0.09 -0.83 115.64 117.62 1xy3 s THR 185 Ca 0.03 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1xy3 s THR 185 Cb -0.13 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1xy3 s THR 185 CO 0.03 0.11 -0.03 -1.66 -0.69 0.00 0.00 174.62 172.37 1xy3 s TRP 186 N -0.72 1.03 -0.01 4.92 -2.14 0.16 -0.45 118.94 121.73 1xy3 s TRP 186 Ca 0.03 -0.42 -0.24 0.00 2.66 0.00 0.00 56.10 58.14 1xy3 s TRP 186 Cb -0.07 -0.98 -0.05 0.00 -3.10 0.00 0.00 33.47 29.27 1xy3 s TRP 186 CO 0.01 -0.40 0.72 -1.14 -2.66 0.00 0.00 176.95 173.47 1xy3 s GLN 187 N 1.80 4.44 0.32 3.25 0.74 0.46 -1.74 119.66 128.93 1xy3 s GLN 187 Ca 0.04 0.95 -0.06 0.00 0.05 0.00 0.00 55.36 56.34 1xy3 s GLN 187 Cb -0.12 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1xy3 s GLN 187 CO -0.06 0.21 0.60 -1.58 -0.55 0.00 0.00 175.29 173.91 1xy3 s TRP 188 N 0.26 3.48 0.66 1.67 0.52 -0.48 -0.65 118.94 124.40 1xy3 s TRP 188 Ca 0.37 0.72 -0.17 0.00 0.02 0.00 0.00 56.10 57.03 1xy3 s TRP 188 Cb -0.19 -2.17 -0.00 0.00 -1.15 0.00 0.00 33.47 29.96 1xy3 s TRP 188 CO 0.20 0.10 1.26 0.21 0.02 0.00 0.00 176.95 178.74 1xy3 s LYS 189 N -3.67 2.51 0.28 4.98 2.20 -0.18 -4.57 119.74 121.29 1xy3 s LYS 189 Ca 0.45 1.95 -0.30 0.00 -0.36 0.00 0.00 55.97 57.71 1xy3 s LYS 189 Cb -0.11 -1.86 -0.12 0.00 -1.51 0.00 0.00 37.83 34.24 1xy3 s LYS 189 CO 0.31 -1.60 1.62 -1.71 -0.36 0.00 0.00 175.35 173.61 1xy3 n ASN 190 N -2.07 3.89 -4.83 1.43 2.85 -1.26 -4.77 115.26 110.50 1xy3 n ASN 190 Ca 0.15 1.14 -0.36 0.00 -0.11 0.00 0.00 54.58 55.40 1xy3 n ASN 190 Cb 0.49 -1.59 -0.07 0.00 1.24 0.00 0.00 39.78 39.85 1xy3 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xy3 s PHE 191 N 0.15 3.48 0.24 1.20 0.08 -0.36 -4.94 117.98 117.82 1xy3 s PHE 191 Ca 0.65 0.41 0.01 0.00 0.12 0.00 0.00 56.93 58.13 1xy3 s PHE 191 Cb -0.50 -1.88 0.28 0.00 -0.57 0.00 0.00 43.02 40.36 1xy3 s PHE 191 CO 0.46 0.66 1.62 0.66 -0.10 0.00 0.00 175.22 178.52 1xy3 h SER 192 N 4.80 0.49 -0.95 1.36 4.64 -1.93 0.55 113.55 122.51 1xy3 h SER 192 Ca -0.53 -0.22 0.09 0.00 -0.47 0.00 0.00 61.79 60.67 1xy3 h SER 192 Cb 1.21 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1xy3 h SER 192 CO 0.59 0.85 0.26 0.61 -0.87 0.00 0.00 176.83 178.27 1xy3 n GLY 193 N -0.05 0.69 0.32 -0.77 0.00 -1.26 -4.36 105.19 99.76 1xy3 n GLY 193 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 1xy3 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xy3 h LEU 194 N 0.00 0.71 -0.41 0.99 7.12 -1.94 -2.39 115.31 119.40 1xy3 h LEU 194 Ca -0.08 -0.07 0.04 0.00 0.13 0.00 0.00 57.88 57.90 1xy3 h LEU 194 Cb 0.39 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 1xy3 h LEU 194 CO 0.11 0.61 0.19 1.56 -0.13 0.00 0.00 178.44 180.78 1xy3 h GLN 195 N 0.79 0.38 -0.11 1.25 1.08 -1.99 -0.71 115.11 115.79 1xy3 h GLN 195 Ca 0.20 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1xy3 h GLN 195 Cb 0.09 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1xy3 h GLN 195 CO -0.02 0.25 0.02 1.49 -0.95 0.00 0.00 178.83 179.62 1xy3 h GLU 196 N 0.39 0.18 -0.53 1.46 4.81 -1.86 -2.85 114.58 116.18 1xy3 h GLU 196 Ca 0.18 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1xy3 h GLU 196 Cb 0.10 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1xy3 h GLU 196 CO -0.14 0.37 0.12 0.28 -0.73 0.00 0.00 179.01 178.92 1xy3 h VAL 197 N -0.04 0.72 -0.78 0.32 2.07 -1.21 -1.82 116.25 115.50 1xy3 h VAL 197 Ca 0.03 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1xy3 h VAL 197 Cb 0.27 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1xy3 h VAL 197 CO 0.00 0.05 0.51 0.03 0.02 0.00 0.00 177.57 178.18 1xy3 h ARG 198 N 0.26 0.82 0.00 1.57 3.08 -1.03 -1.99 114.38 117.09 1xy3 h ARG 198 Ca 0.27 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 1xy3 h ARG 198 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1xy3 h ARG 198 CO -0.33 0.54 -0.31 0.66 -1.07 0.00 0.00 179.97 179.46 1xy3 h SER 199 N 0.84 0.00 -0.63 7.04 4.64 -1.10 -3.07 113.55 121.27 1xy3 h SER 199 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1xy3 h SER 199 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1xy3 h SER 199 CO -0.12 0.31 0.00 1.41 -0.87 0.00 0.00 176.83 177.56 1xy3 n HIS 200 N -3.35 0.94 -0.29 4.77 8.25 -0.77 -4.62 115.22 120.14 1xy3 n HIS 200 Ca 0.01 -0.45 0.10 0.00 -0.26 0.00 0.00 57.72 57.12 1xy3 n HIS 200 Cb 0.53 -0.04 0.26 0.00 1.12 0.00 0.00 29.99 31.86 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 3.73 0.55 0.00 1.59 2.07 -1.40 -0.88 116.25 121.92 1xy3 h VAL 201 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1xy3 h VAL 201 Cb 0.94 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xy3 h VAL 201 CO 0.04 0.08 -0.02 -0.65 0.02 0.00 0.00 177.57 177.03 1xy3 h PRO 202 N 0.43 0.00 0.00 1.57 0.11 -1.87 -2.56 132.00 129.68 1xy3 h PRO 202 Ca 0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.51 1xy3 h PRO 202 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1xy3 h PRO 202 CO -0.48 0.02 -0.48 0.87 -0.21 0.00 0.00 178.00 177.72 1xy3 h LYS 203 N 0.00 0.00 0.73 1.05 1.57 -1.51 -3.31 116.57 115.10 1xy3 h LYS 203 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1xy3 h LYS 203 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xy3 h LYS 203 CO 0.00 0.48 -0.35 0.74 -0.57 0.00 0.00 179.45 179.75 1xy3 h PHE 204 N 0.00 -0.91 -0.97 -1.35 0.04 -1.54 -1.50 116.94 110.71 1xy3 h PHE 204 Ca -0.00 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.77 1xy3 h PHE 204 Cb 1.09 0.30 -0.05 0.00 2.20 0.00 0.00 35.95 39.49 1xy3 h PHE 204 CO 0.00 -0.56 0.64 -0.44 -0.60 0.00 0.00 178.31 177.35 1xy3 h ASP 205 N -1.13 1.09 0.14 2.17 3.32 -1.74 -2.33 116.42 117.95 1xy3 h ASP 205 Ca -0.10 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1xy3 h ASP 205 Cb 0.75 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1xy3 h ASP 205 CO 0.16 0.77 -0.10 0.00 -1.72 0.00 0.00 179.24 178.35 1xy3 h ALA 206 N 1.41 -0.23 -0.81 3.45 0.00 -1.64 -2.11 119.26 119.33 1xy3 h ALA 206 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1xy3 h ALA 206 Cb -0.08 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1xy3 h ALA 206 CO -0.10 -0.64 0.35 1.15 0.00 0.00 0.00 179.25 180.01 1xy3 h THR 207 N -0.25 1.26 -0.30 0.00 2.02 -1.09 -0.96 112.91 113.59 1xy3 h THR 207 Ca -0.01 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1xy3 h THR 207 Cb 0.22 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1xy3 h THR 207 CO -0.00 0.33 0.12 -0.25 0.37 0.00 0.00 175.52 176.09 1xy3 h TRP 208 N 1.18 0.23 -0.43 3.16 7.01 -1.29 0.24 115.95 126.04 1xy3 h TRP 208 Ca 0.27 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.34 1xy3 h TRP 208 Cb 0.18 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 1xy3 h TRP 208 CO 0.02 0.11 0.17 0.00 -2.79 0.00 0.00 178.44 175.95 1xy3 h ALA 209 N 1.18 0.52 -0.09 2.65 0.00 -0.94 -0.83 119.26 121.75 1xy3 h ALA 209 Ca 0.13 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1xy3 h ALA 209 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xy3 h ALA 209 CO -0.12 -0.21 -0.07 1.15 0.00 0.00 0.00 179.25 180.00 1xy3 h THR 210 N 0.35 0.79 -0.80 0.00 2.02 -0.12 0.62 112.91 115.76 1xy3 h THR 210 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.44 1xy3 h THR 210 Cb 0.16 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1xy3 h THR 210 CO -0.18 0.00 0.47 0.00 0.37 0.00 0.00 175.52 176.18 1xy3 h ALA 211 N 0.99 1.10 -0.24 6.16 0.00 -0.08 0.86 119.26 128.04 1xy3 h ALA 211 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1xy3 h ALA 211 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xy3 h ALA 211 CO -0.14 0.17 -0.04 -0.09 0.00 0.00 0.00 179.25 179.15 1xy3 h ARG 212 N 0.85 0.45 -0.55 0.00 2.43 -0.67 -2.05 114.38 114.84 1xy3 h ARG 212 Ca 0.36 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1xy3 h ARG 212 Cb 0.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1xy3 h ARG 212 CO -0.19 0.67 0.11 1.49 -1.51 0.00 0.00 179.97 180.54 1xy3 h GLU 213 N 0.20 0.90 -0.20 0.20 4.81 -0.39 -1.87 114.58 118.23 1xy3 h GLU 213 Ca 0.06 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1xy3 h GLU 213 Cb 0.49 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1xy3 h GLU 213 CO 0.02 0.86 0.08 0.28 -0.73 0.00 0.00 179.01 179.51 1xy3 h VAL 214 N 0.80 1.17 -0.24 0.32 2.07 -0.87 -0.23 116.25 119.27 1xy3 h VAL 214 Ca 0.17 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1xy3 h VAL 214 Cb 0.38 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1xy3 h VAL 214 CO 0.01 0.17 0.03 0.74 0.02 0.00 0.00 177.57 178.53 1xy3 h THR 215 N 0.17 0.86 -0.16 2.57 2.02 -1.25 0.33 112.91 117.44 1xy3 h THR 215 Ca 0.07 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1xy3 h THR 215 Cb 0.19 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1xy3 h THR 215 CO -0.00 0.02 0.03 -0.07 0.37 0.00 0.00 175.52 175.86 1xy3 h LEU 216 N 0.11 0.25 0.13 2.58 4.07 -1.29 -2.44 115.31 118.73 1xy3 h LEU 216 Ca 0.11 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1xy3 h LEU 216 Cb 0.13 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1xy3 h LEU 216 CO -0.17 0.45 -0.06 0.50 -1.08 0.00 0.00 178.44 178.08 1xy3 h LYS 217 N 0.05 -0.16 0.05 1.13 3.64 -0.77 -2.42 116.57 118.08 1xy3 h LYS 217 Ca 0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xy3 h LYS 217 Cb 0.30 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1xy3 h LYS 217 CO 0.00 -0.08 -0.04 1.15 -2.27 0.00 0.00 179.45 178.21 1xy3 h THR 218 N -0.20 0.90 -0.64 1.00 2.02 -1.00 -1.34 112.91 113.65 1xy3 h THR 218 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 1xy3 h THR 218 Cb 0.16 0.90 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 1xy3 h THR 218 CO 0.03 0.00 0.22 0.15 0.37 0.00 0.00 175.52 176.29 1xy3 h PHE 219 N -0.10 0.38 -0.16 3.16 3.57 -1.42 0.14 116.94 122.51 1xy3 h PHE 219 Ca 0.00 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.36 1xy3 h PHE 219 Cb 0.10 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1xy3 h PHE 219 CO -0.09 0.07 -0.63 0.00 -2.23 0.00 0.00 178.31 175.42 1xy3 h ALA 220 N 1.46 0.59 0.03 2.41 0.00 -1.25 -3.35 119.26 119.15 1xy3 h ALA 220 Ca 0.33 -0.55 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 1xy3 h ALA 220 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1xy3 h ALA 220 CO -0.35 0.71 -1.68 0.93 0.00 0.00 0.00 179.25 178.86 1xy3 h GLU 221 N 0.43 0.07 -6.40 0.00 5.08 -0.88 -3.47 114.58 109.42 1xy3 h GLU 221 Ca -0.01 -0.12 -0.54 0.00 -1.00 0.00 0.00 59.36 57.69 1xy3 h GLU 221 Cb 1.20 0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1xy3 h GLU 221 CO 0.12 0.72 1.08 0.34 -1.00 0.00 0.00 179.01 180.27 1xy3 s ASP 222 N -6.40 6.57 -0.87 1.42 2.15 0.46 -4.94 116.67 115.07 1xy3 s ASP 222 Ca -0.08 2.50 -0.07 0.00 0.43 0.00 0.00 52.55 55.33 1xy3 s ASP 222 Cb 0.08 -2.55 0.22 0.00 -0.30 0.00 0.00 42.92 40.37 1xy3 s ASP 222 CO 0.82 -0.94 0.78 0.21 -0.17 0.00 0.00 175.17 175.87 1xy3 s ASN 223 N 3.04 6.38 0.27 -0.34 3.84 -1.26 -4.86 114.94 122.01 1xy3 s ASN 223 Ca 0.77 -3.19 0.08 0.00 0.21 0.00 0.00 52.86 50.73 1xy3 s ASN 223 Cb -0.40 -2.06 -0.06 0.00 -0.55 0.00 0.00 41.25 38.19 1xy3 s ASN 223 CO 0.34 -0.37 -0.10 -0.55 -2.79 0.00 0.00 177.10 173.63 1xy3 s SER 224 N 1.08 2.97 -0.24 -4.21 0.15 -1.26 -4.98 113.70 107.22 1xy3 s SER 224 Ca 0.23 -1.13 0.13 0.00 0.70 0.00 0.00 55.95 55.87 1xy3 s SER 224 Cb -0.12 -0.21 0.53 0.00 -1.71 0.00 0.00 66.02 64.52 1xy3 s SER 224 CO -0.08 -0.24 1.48 0.00 1.20 0.00 0.00 173.24 175.60 1xy3 n ALA 225 N -0.58 3.70 -3.18 5.45 0.00 -1.26 -1.22 120.51 123.43 1xy3 n ALA 225 Ca -0.06 -2.67 0.02 0.00 0.00 0.00 0.00 53.44 50.73 1xy3 n ALA 225 Cb 0.62 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 1xy3 n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xy3 s SER 226 N -2.12 -1.14 0.23 0.00 0.15 -1.26 -4.58 113.70 104.98 1xy3 s SER 226 Ca 0.44 0.75 -0.07 0.00 0.70 0.00 0.00 55.95 57.77 1xy3 s SER 226 Cb 0.38 2.00 0.30 0.00 -1.71 0.00 0.00 66.02 66.99 1xy3 s SER 226 CO 0.05 -0.27 1.82 0.58 1.20 0.00 0.00 173.24 176.63 1xy3 h VAL 227 N 6.03 0.98 -0.73 4.45 2.07 -1.90 -1.13 116.25 126.02 1xy3 h VAL 227 Ca -0.22 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.15 1xy3 h VAL 227 Cb 1.16 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 1xy3 h VAL 227 CO 0.26 0.14 0.31 1.56 0.02 0.00 0.00 177.57 179.87 1xy3 h GLN 228 N 0.79 0.48 -0.31 1.57 7.50 -1.99 0.89 115.11 124.04 1xy3 h GLN 228 Ca 0.34 -0.03 -0.08 0.00 0.50 0.00 0.00 58.65 59.38 1xy3 h GLN 228 Cb 0.22 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1xy3 h GLN 228 CO -0.19 0.32 -0.16 0.00 -1.50 0.00 0.00 178.83 177.29 1xy3 h ALA 229 N 1.49 1.15 -0.15 3.87 0.00 -1.65 -2.14 119.26 121.83 1xy3 h ALA 229 Ca 0.38 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xy3 h ALA 229 Cb 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xy3 h ALA 229 CO -0.34 0.54 -0.10 1.15 0.00 0.00 0.00 179.25 180.49 1xy3 h THR 230 N 0.50 1.33 -0.14 0.00 2.02 -0.15 -2.74 112.91 113.73 1xy3 h THR 230 Ca 0.08 -1.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 1xy3 h THR 230 Cb 0.57 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1xy3 h THR 230 CO 0.04 0.35 -0.12 0.00 0.37 0.00 0.00 175.52 176.16 1xy3 h MET 231 N -0.02 0.22 -0.43 6.66 -0.00 -0.83 -2.39 114.93 118.15 1xy3 h MET 231 Ca 0.03 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.70 59.63 1xy3 h MET 231 Cb 0.60 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 32.15 1xy3 h MET 231 CO 0.03 0.35 0.08 -0.92 -0.00 0.00 0.00 176.91 176.45 1xy3 h TYR 232 N 0.21 0.74 -0.46 -0.10 3.20 -1.30 -1.19 116.97 118.07 1xy3 h TYR 232 Ca 0.04 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1xy3 h TYR 232 Cb 0.35 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1xy3 h TYR 232 CO 0.00 0.71 0.20 0.87 -1.64 0.00 0.00 178.16 178.30 1xy3 h LYS 233 N 0.56 0.65 0.25 1.82 1.57 -1.21 -0.28 116.57 119.93 1xy3 h LYS 233 Ca 0.13 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xy3 h LYS 233 Cb 0.36 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1xy3 h LYS 233 CO 0.01 0.53 -0.12 0.52 -0.57 0.00 0.00 179.45 179.82 1xy3 h MET 234 N 0.65 -0.32 -0.67 3.15 2.86 -0.89 -2.75 114.93 116.95 1xy3 h MET 234 Ca 0.16 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.89 1xy3 h MET 234 Cb 0.11 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1xy3 h MET 234 CO -0.02 -0.15 0.36 0.00 1.06 0.00 0.00 176.91 178.16 1xy3 h ALA 235 N 0.32 0.90 0.24 6.32 0.00 -0.56 -2.77 119.26 123.72 1xy3 h ALA 235 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xy3 h ALA 235 Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xy3 h ALA 235 CO 0.06 0.01 -0.36 0.93 0.00 0.00 0.00 179.25 179.88 1xy3 h GLU 236 N 0.64 -0.65 -0.70 0.00 5.08 -0.92 -2.21 114.58 115.83 1xy3 h GLU 236 Ca 0.31 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.80 1xy3 h GLU 236 Cb 0.24 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1xy3 h GLU 236 CO -0.21 -0.43 0.46 1.96 -1.00 0.00 0.00 179.01 179.79 1xy3 h GLN 237 N -0.67 0.62 -0.29 2.33 4.20 -1.33 -1.15 115.11 118.82 1xy3 h GLN 237 Ca 0.00 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 1xy3 h GLN 237 Cb 0.65 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1xy3 h GLN 237 CO -0.14 0.41 -0.33 0.82 -0.67 0.00 0.00 178.83 178.92 1xy3 h ILE 238 N 0.64 1.29 0.00 2.54 2.04 -1.20 -2.02 117.51 120.80 1xy3 h ILE 238 Ca 0.31 -1.46 -0.14 0.00 1.00 0.00 0.00 64.86 64.57 1xy3 h ILE 238 Cb 0.40 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1xy3 h ILE 238 CO -0.11 0.47 -0.68 -0.07 0.00 0.00 0.00 178.15 177.76 1xy3 h LEU 239 N 0.53 0.00 -0.21 1.44 3.38 -0.71 -2.85 115.31 116.89 1xy3 h LEU 239 Ca 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1xy3 h LEU 239 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1xy3 h LEU 239 CO 0.07 0.68 -0.42 0.00 0.09 0.00 0.00 178.44 178.86 1xy3 h ALA 240 N 1.32 0.34 0.00 1.53 0.00 -1.07 -3.29 119.26 118.08 1xy3 h ALA 240 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xy3 h ALA 240 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xy3 h ALA 240 CO 0.09 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1xy3 h ARG 241 N 0.36 0.00 -2.91 0.00 3.08 -1.33 -3.42 114.38 110.16 1xy3 h ARG 241 Ca 0.01 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.55 1xy3 h ARG 241 Cb 1.03 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.67 1xy3 h ARG 241 CO 0.09 0.00 -0.77 -1.14 -1.07 0.00 0.00 179.97 177.09 1xy3 s GLN 242 N -3.34 0.16 0.38 0.04 2.00 -1.08 -5.02 119.66 112.80 1xy3 s GLN 242 Ca 0.06 -0.38 0.10 0.00 -2.00 0.00 0.00 55.36 53.14 1xy3 s GLN 242 Cb 0.09 -1.43 0.75 0.00 0.80 0.00 0.00 33.01 33.22 1xy3 s GLN 242 CO 0.56 -0.89 1.88 0.37 -0.50 0.00 0.00 175.29 176.72 1xy3 h GLN 243 N 8.40 0.16 0.00 1.67 5.75 -1.82 -2.85 115.11 126.42 1xy3 h GLN 243 Ca -0.18 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1xy3 h GLN 243 Cb 1.06 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.59 1xy3 h GLN 243 CO 0.38 0.38 0.00 1.28 -2.65 0.00 0.00 178.83 178.23 1xy3 n LEU 244 N -4.21 0.00 -4.79 -2.39 4.77 -1.26 -4.70 117.00 104.41 1xy3 n LEU 244 Ca -0.01 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.87 1xy3 n LEU 244 Cb 0.32 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1xy3 n LEU 244 CO 0.38 -0.14 0.24 -0.63 -1.33 0.00 0.00 177.39 175.91 1xy3 s ILE 245 N -2.57 4.88 -0.24 -0.08 -1.09 -1.08 -1.01 121.20 120.01 1xy3 s ILE 245 Ca 0.14 1.13 0.04 0.00 -2.23 0.00 0.00 60.65 59.73 1xy3 s ILE 245 Cb 0.10 -3.86 -0.18 0.00 -1.58 0.00 0.00 42.46 36.94 1xy3 s ILE 245 CO 0.23 0.50 -0.18 -0.62 -1.23 0.00 0.00 174.94 173.64 1xy3 n GLU 246 N 2.20 0.65 -3.74 2.79 1.02 0.17 -4.86 120.64 118.88 1xy3 n GLU 246 Ca -0.10 0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1xy3 n GLU 246 Cb 0.51 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 1xy3 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xy3 s THR 247 N -2.50 0.01 -0.08 2.62 -4.23 -1.23 -4.15 115.64 106.09 1xy3 s THR 247 Ca -0.30 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1xy3 s THR 247 Cb 0.08 -0.58 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 1xy3 s THR 247 CO 0.62 -0.06 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.77 1xy3 s VAL 248 N -0.22 2.70 -0.07 2.29 1.01 -0.72 -0.41 120.40 124.98 1xy3 s VAL 248 Ca -0.04 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1xy3 s VAL 248 Cb -0.03 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1xy3 s VAL 248 CO 0.02 0.56 -0.11 -0.70 0.00 0.00 0.00 175.10 174.87 1xy3 s GLU 249 N -0.21 1.60 0.07 2.72 2.12 0.40 -0.55 118.70 124.85 1xy3 s GLU 249 Ca -0.01 -0.36 0.08 0.00 0.36 0.00 0.00 54.97 55.04 1xy3 s GLU 249 Cb -0.13 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.84 1xy3 s GLU 249 CO 0.03 -0.02 -0.18 0.71 -0.54 0.00 0.00 175.26 175.26 1xy3 s TYR 250 N 0.83 2.55 -0.25 5.30 2.02 -0.16 -0.92 117.35 126.72 1xy3 s TYR 250 Ca -0.12 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1xy3 s TYR 250 Cb -0.15 -1.41 0.10 0.00 -0.40 0.00 0.00 41.96 40.09 1xy3 s TYR 250 CO 0.02 0.31 0.16 0.45 -1.57 0.00 0.00 175.55 174.92 1xy3 s SER 251 N -1.74 2.71 -0.35 2.29 0.15 -0.71 -1.55 113.70 114.50 1xy3 s SER 251 Ca 0.16 -0.93 -0.07 0.00 0.70 0.00 0.00 55.95 55.81 1xy3 s SER 251 Cb -0.11 -0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1xy3 s SER 251 CO 0.07 -0.40 0.13 -0.76 1.20 0.00 0.00 173.24 173.48 1xy3 s LEU 252 N 2.18 4.44 -0.47 3.45 1.43 0.05 -2.95 118.68 126.80 1xy3 s LEU 252 Ca 0.07 -1.16 -0.24 0.00 -1.03 0.00 0.00 54.13 51.77 1xy3 s LEU 252 Cb -0.16 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1xy3 s LEU 252 CO -0.27 -0.35 0.88 -2.16 0.23 0.00 0.00 176.35 174.67 1xy3 s PRO 253 N 1.42 3.45 0.66 1.29 0.05 -1.24 -1.81 135.00 138.82 1xy3 s PRO 253 Ca -0.01 -0.01 -0.16 0.00 0.05 0.00 0.00 61.00 60.87 1xy3 s PRO 253 Cb -0.20 -3.95 0.00 0.00 0.05 0.00 0.00 34.50 30.40 1xy3 s PRO 253 CO 0.03 -1.23 1.16 -0.80 0.05 0.00 0.00 177.00 176.21 1xy3 s ASN 254 N 2.32 4.85 -0.19 6.66 -0.87 0.17 -2.61 114.94 125.28 1xy3 s ASN 254 Ca 0.33 2.20 -0.00 0.00 -1.57 0.00 0.00 52.86 53.82 1xy3 s ASN 254 Cb -0.11 -2.57 0.04 0.00 -0.02 0.00 0.00 41.25 38.59 1xy3 s ASN 254 CO 0.24 -1.81 -0.06 -0.54 -2.57 0.00 0.00 177.10 172.35 1xy3 s LYS 255 N -3.84 1.60 0.33 -0.60 1.02 -0.36 -4.07 119.74 113.81 1xy3 s LYS 255 Ca 0.72 -0.67 -0.18 0.00 0.02 0.00 0.00 55.97 55.85 1xy3 s LYS 255 Cb -0.25 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 1xy3 s LYS 255 CO 0.40 -0.46 0.81 -1.01 -0.92 0.00 0.00 175.35 174.17 1xy3 s HIS 256 N 1.54 3.44 -0.25 3.18 3.76 -1.26 -4.09 115.29 121.61 1xy3 s HIS 256 Ca -0.01 1.41 -0.02 0.00 -0.15 0.00 0.00 55.06 56.29 1xy3 s HIS 256 Cb -0.16 -2.67 0.08 0.00 1.11 0.00 0.00 32.58 30.94 1xy3 s HIS 256 CO -0.08 0.10 0.06 0.71 -0.85 0.00 0.00 174.74 174.68 1xy3 s TYR 257 N -1.91 1.37 0.40 1.40 1.51 -1.26 -1.67 117.35 117.18 1xy3 s TYR 257 Ca 0.54 -1.29 -0.17 0.00 -1.01 0.00 0.00 57.07 55.14 1xy3 s TYR 257 Cb -0.12 -1.34 -0.10 0.00 -0.11 0.00 0.00 41.96 40.30 1xy3 s TYR 257 CO 0.18 -0.75 0.86 -0.06 -1.11 0.00 0.00 175.55 174.67 1xy3 s PHE 258 N 1.74 3.36 0.61 2.71 0.08 -0.98 -4.82 117.98 120.68 1xy3 s PHE 258 Ca 0.04 1.40 -0.14 0.00 0.12 0.00 0.00 56.93 58.35 1xy3 s PHE 258 Cb -0.17 -2.69 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 1xy3 s PHE 258 CO -0.17 -0.06 1.04 -1.21 -0.10 0.00 0.00 175.22 174.72 1xy3 s GLU 259 N -3.26 3.34 -0.29 0.44 2.02 -1.26 -0.94 118.70 118.75 1xy3 s GLU 259 Ca 0.58 1.05 0.03 0.00 0.02 0.00 0.00 54.97 56.64 1xy3 s GLU 259 Cb -0.10 -2.04 0.07 0.00 0.10 0.00 0.00 34.13 32.17 1xy3 s GLU 259 CO 0.18 -0.78 -0.04 0.42 0.02 0.00 0.00 175.26 175.06 1xy3 s ILE 260 N -2.73 2.08 -0.13 -1.63 1.01 -1.25 -4.76 121.20 113.80 1xy3 s ILE 260 Ca 0.60 -1.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.14 1xy3 s ILE 260 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1xy3 s ILE 260 CO 0.43 -0.25 1.61 -0.62 0.00 0.00 0.00 174.94 176.11 1xy3 s ASP 261 N 1.09 6.57 -0.08 3.58 -1.08 -1.26 -4.64 116.67 120.84 1xy3 s ASP 261 Ca -0.01 1.96 0.12 0.00 -0.52 0.00 0.00 52.55 54.10 1xy3 s ASP 261 Cb -0.19 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 38.96 1xy3 s ASP 261 CO -0.07 -1.04 1.15 0.18 0.52 0.00 0.00 175.17 175.90 1xy3 n LEU 262 N 7.63 2.49 0.23 -1.34 4.77 -1.26 -4.73 117.00 124.78 1xy3 n LEU 262 Ca 0.18 -2.62 0.06 0.00 -0.03 0.00 0.00 56.01 53.59 1xy3 n LEU 262 Cb 0.44 -0.29 0.52 0.00 -2.33 0.00 0.00 43.42 41.76 1xy3 n LEU 262 CO 0.63 0.64 0.91 0.77 -1.33 0.00 0.00 177.39 179.01 1xy3 h SER 263 N 0.42 0.00 0.24 -1.43 4.64 -1.69 -2.08 113.55 113.65 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 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1xy3 h SER 263 CO 0.03 0.17 0.00 -2.67 -0.87 0.00 0.00 176.83 173.49 1xy3 n TRP 264 N -4.31 0.48 -3.80 4.77 4.27 -1.26 -1.75 117.44 115.84 1xy3 n TRP 264 Ca -0.02 0.23 -0.36 0.00 -3.89 0.00 0.00 57.50 53.45 1xy3 n TRP 264 Cb 0.24 -0.86 -0.12 0.00 -1.36 0.00 0.00 31.31 29.20 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 -3.29 3.55 -1.17 -2.67 5.04 -0.79 -4.70 115.29 111.26 1xy3 s HIS 265 Ca 0.01 -2.35 -0.03 0.00 -1.54 0.00 0.00 55.06 51.15 1xy3 s HIS 265 Cb 0.06 -3.06 0.02 0.00 0.04 0.00 0.00 32.58 29.64 1xy3 s HIS 265 CO 0.21 -0.95 0.19 1.63 -2.34 0.00 0.00 174.74 173.48 1xy3 n LYS 266 N 4.59 -2.79 -2.87 2.88 5.02 -1.26 -1.50 118.16 122.24 1xy3 n LYS 266 Ca -0.03 0.59 -0.20 0.00 -2.02 0.00 0.00 58.31 56.65 1xy3 n LYS 266 Cb 0.42 -5.24 0.01 0.00 -0.02 0.00 0.00 35.03 30.19 1xy3 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 267 N -0.97 -0.50 3.72 0.72 0.00 -0.72 -4.92 105.19 102.52 1xy3 n GLY 267 Ca -0.11 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -6.27 4.37 -0.38 0.99 2.96 -0.56 -4.81 118.68 114.99 1xy3 s LEU 268 Ca 0.21 2.68 -0.15 0.00 -0.22 0.00 0.00 54.13 56.65 1xy3 s LEU 268 Cb -0.10 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1xy3 s LEU 268 CO 0.25 -0.84 0.31 -1.10 -1.32 0.00 0.00 176.35 173.65 1xy3 s GLN 269 N 0.92 3.27 -0.03 1.98 -1.52 -1.26 -1.89 119.66 121.13 1xy3 s GLN 269 Ca 0.69 -0.75 0.07 0.00 -1.95 0.00 0.00 55.36 53.43 1xy3 s GLN 269 Cb -0.45 -3.89 0.12 0.00 -0.22 0.00 0.00 33.01 28.58 1xy3 s GLN 269 CO 0.33 -0.62 1.06 -1.71 -0.25 0.00 0.00 175.29 174.10 1xy3 n ASN 270 N 5.24 0.55 -4.45 5.90 5.15 -1.26 -4.71 115.26 121.67 1xy3 n ASN 270 Ca -0.11 -2.22 -0.23 0.00 -0.60 0.00 0.00 54.58 51.42 1xy3 n ASN 270 Cb 0.48 -0.26 -0.10 0.00 -0.53 0.00 0.00 39.78 39.37 1xy3 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xy3 s THR 271 N -0.52 2.25 0.00 -0.44 -4.23 -1.26 -3.70 115.64 107.74 1xy3 s THR 271 Ca 0.11 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1xy3 s THR 271 Cb 0.12 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1xy3 s THR 271 CO -0.03 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1xy3 n GLY 272 N -0.59 3.88 0.04 3.99 0.00 -1.26 -1.83 105.19 109.41 1xy3 n GLY 272 Ca -0.06 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1xy3 n GLY 272 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xy3 n LYS 273 N 14.00 0.05 0.00 1.61 5.02 -1.26 -2.30 118.16 135.28 1xy3 n LYS 273 Ca 0.00 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1xy3 n LYS 273 Cb 0.00 -1.61 0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1xy3 n LYS 273 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xy3 n ASN 274 N -1.71 2.00 -4.65 4.39 4.13 -0.76 -4.97 115.26 113.69 1xy3 n ASN 274 Ca 0.03 -1.50 -0.46 0.00 1.68 0.00 0.00 54.58 54.33 1xy3 n ASN 274 Cb 0.16 0.27 -0.04 0.00 -1.54 0.00 0.00 39.78 38.63 1xy3 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xy3 n ALA 275 N 0.35 1.26 0.00 5.41 0.00 -0.97 -4.44 120.51 122.12 1xy3 n ALA 275 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1xy3 n ALA 275 Cb 0.39 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1xy3 n ALA 275 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xy3 n GLU 276 N 7.39 0.00 -4.03 0.00 1.02 -1.26 -4.97 120.64 118.79 1xy3 n GLU 276 Ca 0.24 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.03 1xy3 n GLU 276 Cb 0.35 -0.72 -0.09 0.00 -0.02 0.00 0.00 31.44 30.96 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 -1.87 4.90 0.24 2.62 1.01 -1.26 -5.10 120.40 120.94 1xy3 s VAL 277 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1xy3 s VAL 277 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1xy3 s VAL 277 CO 0.00 0.52 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 1xy3 s PHE 278 N -0.18 1.76 -0.39 5.22 0.40 -1.26 -3.97 117.98 119.55 1xy3 s PHE 278 Ca 0.08 -0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 55.65 1xy3 s PHE 278 Cb -0.12 -0.97 0.10 0.00 0.51 0.00 0.00 43.02 42.55 1xy3 s PHE 278 CO 0.01 0.20 0.17 0.00 0.70 0.00 0.00 175.22 176.31 1xy3 s ALA 279 N -3.13 3.10 0.31 5.36 0.00 -0.12 -4.95 121.76 122.34 1xy3 s ALA 279 Ca 0.27 -2.43 -0.29 0.00 0.00 0.00 0.00 51.96 49.50 1xy3 s ALA 279 Cb 0.03 -2.34 -0.11 0.00 0.00 0.00 0.00 23.12 20.71 1xy3 s ALA 279 CO 0.09 -1.73 1.53 -2.14 0.00 0.00 0.00 175.76 173.51 1xy3 s PRO 280 N 1.15 4.16 -0.21 0.00 0.02 -1.26 -2.32 135.00 136.53 1xy3 s PRO 280 Ca 0.07 2.51 -0.06 0.00 0.02 0.00 0.00 61.00 63.54 1xy3 s PRO 280 Cb -0.22 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 1xy3 s PRO 280 CO -0.04 -0.55 0.02 -0.65 -0.33 0.00 0.00 177.00 175.45 1xy3 s GLN 281 N -0.95 3.62 0.13 5.54 -1.52 -0.67 -4.95 119.66 120.86 1xy3 s GLN 281 Ca 0.59 -0.51 -0.14 0.00 -1.95 0.00 0.00 55.36 53.36 1xy3 s GLN 281 Cb -0.46 -3.14 -0.01 0.00 -0.22 0.00 0.00 33.01 29.18 1xy3 s GLN 281 CO 0.51 -0.04 1.57 0.77 -0.25 0.00 0.00 175.29 177.85 1xy3 h SER 282 N 7.67 0.77 -5.06 5.90 0.02 -1.94 -3.39 113.55 117.52 1xy3 h SER 282 Ca -0.37 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.23 1xy3 h SER 282 Cb 1.18 -0.21 -0.11 0.00 0.14 0.00 0.00 62.40 63.39 1xy3 h SER 282 CO 0.61 0.92 0.05 1.51 -1.14 0.00 0.00 176.83 178.77 1xy3 s ASP 283 N -6.32 -0.33 0.26 3.07 1.47 -1.26 -4.81 116.67 108.76 1xy3 s ASP 283 Ca -0.13 -0.32 0.00 0.00 1.18 0.00 0.00 52.55 53.28 1xy3 s ASP 283 Cb 0.11 0.56 0.00 0.00 -0.34 0.00 0.00 42.92 43.24 1xy3 s ASP 283 CO 0.81 -0.99 0.00 -0.81 0.68 0.00 0.00 175.17 174.87 1xy3 n PRO 284 N -0.32 0.96 -3.66 2.11 -0.04 -1.26 -5.12 135.00 127.68 1xy3 n PRO 284 Ca -0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1xy3 n PRO 284 Cb 0.63 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.02 1xy3 n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xy3 s ASN 285 N -1.00 -0.37 0.35 3.54 4.22 -1.26 -4.75 114.94 115.67 1xy3 s ASN 285 Ca 0.00 0.29 -0.25 0.00 -2.14 0.00 0.00 52.86 50.76 1xy3 s ASN 285 Cb 0.00 0.41 -0.10 0.00 1.28 0.00 0.00 41.25 42.84 1xy3 s ASN 285 CO 0.00 -0.54 1.00 -0.83 -2.04 0.00 0.00 177.10 174.69 1xy3 s GLY 286 N -1.39 2.79 -0.15 0.45 0.00 -1.26 -4.86 107.32 102.91 1xy3 s GLY 286 Ca -0.11 0.62 -0.00 0.00 0.00 0.00 0.00 44.72 45.23 1xy3 s GLY 286 CO 0.05 1.07 -0.08 -2.27 0.00 0.00 0.00 173.10 171.87 1xy3 s LEU 287 N -2.27 1.54 -0.17 0.66 2.96 -1.26 0.46 118.68 120.61 1xy3 s LEU 287 Ca 0.53 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1xy3 s LEU 287 Cb -0.21 -0.97 -0.00 0.00 0.50 0.00 0.00 46.19 45.51 1xy3 s LEU 287 CO 0.26 -0.13 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.39 1xy3 s ILE 288 N 1.61 2.73 0.19 6.68 1.01 -0.75 -4.98 121.20 127.69 1xy3 s ILE 288 Ca 0.03 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 60.04 1xy3 s ILE 288 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1xy3 s ILE 288 CO -0.08 0.50 -0.16 -0.54 0.00 0.00 0.00 174.94 174.66 1xy3 s LYS 289 N 0.96 1.81 -0.29 2.79 1.02 -1.26 -0.77 119.74 123.99 1xy3 s LYS 289 Ca -0.02 -1.40 -0.15 0.00 0.02 0.00 0.00 55.97 54.41 1xy3 s LYS 289 Cb -0.15 -2.00 0.15 0.00 -0.52 0.00 0.00 37.83 35.31 1xy3 s LYS 289 CO -0.02 0.41 0.94 0.00 -0.92 0.00 0.00 175.35 175.76 1xy3 s THR 291 N 1.98 2.92 -0.11 0.00 2.01 -1.26 -0.99 115.64 120.20 1xy3 s THR 291 Ca -0.06 -1.25 -0.05 0.00 0.31 0.00 0.00 61.69 60.64 1xy3 s THR 291 Cb -0.05 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1xy3 s THR 291 CO -0.17 0.01 0.07 -0.69 -0.69 0.00 0.00 174.62 173.15 1xy3 s VAL 292 N 1.28 4.87 0.00 3.82 1.01 0.29 -4.98 120.40 126.69 1xy3 s VAL 292 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1xy3 s VAL 292 Cb -0.19 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1xy3 s VAL 292 CO -0.02 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1xy3 n GLY 293 N 2.25 4.67 3.86 4.51 0.00 -1.26 -1.76 105.19 117.46 1xy3 n GLY 293 Ca -0.19 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 1xy3 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xy3 s ARG 294 N -1.47 3.34 0.00 1.61 0.52 -1.26 -5.02 118.95 116.67 1xy3 s ARG 294 Ca 0.00 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 1xy3 s ARG 294 Cb 0.00 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1xy3 s ARG 294 CO 0.00 0.70 0.48 0.43 0.02 0.00 0.00 175.30 176.93