#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xy3 s VAL 3 N 0.00 4.46 -0.09 0.00 1.01 -1.26 -4.90 120.40 119.61 1xy3 s VAL 3 Ca 0.00 1.74 0.15 0.00 0.00 0.00 0.00 61.98 63.87 1xy3 s VAL 3 Cb 0.00 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.98 1xy3 s VAL 3 CO 0.00 -0.21 0.52 0.29 0.00 0.00 0.00 175.10 175.70 1xy3 n LYS 4 N 6.57 0.65 -3.59 2.72 4.76 -1.26 -4.97 118.16 123.03 1xy3 n LYS 4 Ca 0.13 0.20 -0.16 0.00 -2.87 0.00 0.00 58.31 55.61 1xy3 n LYS 4 Cb 0.46 -1.72 -0.07 0.00 -1.84 0.00 0.00 35.03 31.86 1xy3 n LYS 4 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xy3 s ALA 5 N -2.62 -1.71 -0.05 7.82 0.00 -1.26 -5.17 121.76 118.76 1xy3 s ALA 5 Ca -0.06 1.61 -0.16 0.00 0.00 0.00 0.00 51.96 53.35 1xy3 s ALA 5 Cb 0.08 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1xy3 s ALA 5 CO 0.83 -0.34 0.38 0.00 0.00 0.00 0.00 175.76 176.62 1xy3 s ALA 6 N -0.39 -0.95 0.06 0.00 0.00 -1.26 -5.16 121.76 114.06 1xy3 s ALA 6 Ca -0.05 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 1xy3 s ALA 6 Cb -0.03 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1xy3 s ALA 6 CO 0.05 -0.25 0.53 1.03 0.00 0.00 0.00 175.76 177.12 1xy3 s ARG 7 N -0.91 1.07 -0.13 0.00 0.52 -1.26 -4.68 118.95 113.56 1xy3 s ARG 7 Ca -0.10 -0.27 -0.31 0.00 -0.52 0.00 0.00 55.73 54.54 1xy3 s ARG 7 Cb -0.04 0.49 0.13 0.00 0.52 0.00 0.00 34.95 36.05 1xy3 s ARG 7 CO 0.04 -0.40 1.05 1.52 0.02 0.00 0.00 175.30 177.53 1xy3 s TYR 8 N -2.64 -0.27 -2.44 -0.53 1.13 -1.11 -4.92 117.35 106.57 1xy3 s TYR 8 Ca -0.04 0.31 0.00 0.00 -1.41 0.00 0.00 57.07 55.93 1xy3 s TYR 8 Cb -0.00 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.35 1xy3 s TYR 8 CO -0.03 -0.34 0.00 0.41 -2.51 0.00 0.00 175.55 173.08 1xy3 n GLY 9 N 0.21 -0.53 3.45 5.49 0.00 -1.26 0.13 105.19 112.68 1xy3 n GLY 9 Ca -0.06 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.98 3.21 0.26 1.61 2.47 -0.71 -4.90 119.74 120.70 1xy3 s LYS 10 Ca 0.00 -0.63 0.10 0.00 -1.56 0.00 0.00 55.97 53.88 1xy3 s LYS 10 Cb 0.00 -2.65 -0.04 0.00 -1.46 0.00 0.00 37.83 33.68 1xy3 s LYS 10 CO 0.00 0.36 -0.08 0.34 0.16 0.00 0.00 175.35 176.12 1xy3 s ASP 11 N -0.00 4.19 -1.38 1.43 2.15 -1.26 -1.59 116.67 120.21 1xy3 s ASP 11 Ca -0.02 -0.75 -0.06 0.00 0.43 0.00 0.00 52.55 52.14 1xy3 s ASP 11 Cb -0.14 -0.65 0.03 0.00 -0.30 0.00 0.00 42.92 41.86 1xy3 s ASP 11 CO 0.04 0.03 0.88 0.59 -0.17 0.00 0.00 175.17 176.54 1xy3 n ASN 12 N -0.64 -3.11 -4.47 -0.34 3.02 -1.21 -4.93 115.26 103.58 1xy3 n ASN 12 Ca -0.07 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.30 1xy3 n ASN 12 Cb 0.59 -4.21 -0.04 0.00 -0.61 0.00 0.00 39.78 35.50 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 -3.47 4.43 0.08 2.41 1.01 -0.64 -4.87 120.40 119.34 1xy3 s VAL 13 Ca 0.30 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1xy3 s VAL 13 Cb -0.15 -4.59 -0.06 0.00 0.00 0.00 0.00 36.38 31.59 1xy3 s VAL 13 CO 0.80 -1.28 1.14 -0.13 0.00 0.00 0.00 175.10 175.64 1xy3 s ARG 14 N 3.80 4.49 0.01 2.72 0.52 -1.26 -1.04 118.95 128.18 1xy3 s ARG 14 Ca 0.23 1.70 0.03 0.00 -0.52 0.00 0.00 55.73 57.17 1xy3 s ARG 14 Cb -0.16 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1xy3 s ARG 14 CO 0.12 -0.15 -0.09 0.08 0.02 0.00 0.00 175.30 175.28 1xy3 s VAL 15 N 0.78 0.73 -0.04 3.52 1.01 0.69 -4.98 120.40 122.12 1xy3 s VAL 15 Ca 0.56 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1xy3 s VAL 15 Cb -0.28 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1xy3 s VAL 15 CO 0.30 0.09 -0.02 -0.47 0.00 0.00 0.00 175.10 175.01 1xy3 s TYR 16 N -0.44 0.48 0.00 5.22 6.14 -1.26 -0.65 117.35 126.85 1xy3 s TYR 16 Ca 0.02 -0.08 0.04 0.00 0.64 0.00 0.00 57.07 57.69 1xy3 s TYR 16 Cb -0.05 -0.51 -0.01 0.00 0.42 0.00 0.00 41.96 41.81 1xy3 s TYR 16 CO 0.00 -0.15 -0.13 0.21 0.64 0.00 0.00 175.55 176.12 1xy3 s LYS 17 N 0.98 0.98 -0.06 4.97 2.20 0.15 -4.97 119.74 124.00 1xy3 s LYS 17 Ca -0.10 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 1xy3 s LYS 17 Cb -0.14 -0.95 -0.01 0.00 -1.51 0.00 0.00 37.83 35.22 1xy3 s LYS 17 CO -0.01 0.25 -0.24 0.54 -0.36 0.00 0.00 175.35 175.53 1xy3 s VAL 18 N -0.43 1.98 -0.23 4.02 0.11 -1.26 0.46 120.40 125.06 1xy3 s VAL 18 Ca 0.04 -1.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.03 1xy3 s VAL 18 Cb -0.05 -1.68 -0.00 0.00 -1.53 0.00 0.00 36.38 33.11 1xy3 s VAL 18 CO -0.00 0.55 -0.03 -2.28 -3.33 0.00 0.00 175.10 170.01 1xy3 s HIS 19 N -0.10 2.99 -0.16 1.54 2.46 0.97 -4.96 115.29 118.02 1xy3 s HIS 19 Ca -0.05 -1.05 -0.06 0.00 0.47 0.00 0.00 55.06 54.37 1xy3 s HIS 19 Cb -0.14 -2.11 -0.04 0.00 -0.13 0.00 0.00 32.58 30.16 1xy3 s HIS 19 CO 0.04 -0.58 0.05 0.15 -2.47 0.00 0.00 174.74 171.92 1xy3 s LYS 20 N 1.45 3.79 -0.61 2.88 1.02 -1.26 -1.34 119.74 125.68 1xy3 s LYS 20 Ca 0.05 -0.36 -0.16 0.00 0.02 0.00 0.00 55.97 55.52 1xy3 s LYS 20 Cb -0.15 -3.13 0.14 0.00 -0.52 0.00 0.00 37.83 34.17 1xy3 s LYS 20 CO -0.03 0.36 0.60 0.34 -0.92 0.00 0.00 175.35 175.69 1xy3 s ASP 21 N 0.12 6.29 0.21 2.83 -1.08 -0.99 -4.94 116.67 119.12 1xy3 s ASP 21 Ca 0.04 -1.87 -0.11 0.00 -0.52 0.00 0.00 52.55 50.09 1xy3 s ASP 21 Cb -0.12 -2.23 0.29 0.00 -1.46 0.00 0.00 42.92 39.39 1xy3 s ASP 21 CO 0.01 -0.87 1.68 -0.33 0.52 0.00 0.00 175.17 176.18 1xy3 h GLU 22 N 8.77 0.17 0.00 4.34 4.39 -1.94 2.38 114.58 132.68 1xy3 h GLU 22 Ca -0.22 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1xy3 h GLU 22 Cb 1.09 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1xy3 h GLU 22 CO 1.01 0.11 0.00 1.17 -1.16 0.00 0.00 179.01 180.14 1xy3 n LYS 23 N -5.21 0.00 0.09 2.33 4.81 -1.26 -3.77 118.16 115.15 1xy3 n LYS 23 Ca 0.09 0.57 -0.08 0.00 -0.87 0.00 0.00 58.31 58.02 1xy3 n LYS 23 Cb 0.33 -1.41 -0.01 0.00 0.02 0.00 0.00 35.03 33.96 1xy3 n LYS 23 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1xy3 h THR 24 N 0.00 1.53 0.00 3.15 1.35 -1.97 -3.47 112.91 113.50 1xy3 h THR 24 Ca 0.00 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 1xy3 h THR 24 Cb 0.00 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1xy3 h THR 24 CO 0.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1xy3 n GLY 25 N 0.91 0.64 3.72 5.82 0.00 0.80 -5.02 105.19 112.05 1xy3 n GLY 25 Ca -0.03 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 -2.02 4.89 0.18 1.61 1.01 -1.24 -4.79 120.40 120.04 1xy3 s VAL 26 Ca 0.00 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.78 1xy3 s VAL 26 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1xy3 s VAL 26 CO 0.00 0.24 0.21 -1.10 0.00 0.00 0.00 175.10 174.45 1xy3 s GLN 27 N 0.68 3.12 -0.01 2.72 -0.21 0.14 -2.33 119.66 123.77 1xy3 s GLN 27 Ca 0.44 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1xy3 s GLN 27 Cb -0.20 -2.76 0.02 0.00 1.00 0.00 0.00 33.01 31.07 1xy3 s GLN 27 CO 0.24 0.48 0.01 0.99 -2.12 0.00 0.00 175.29 174.88 1xy3 s THR 28 N -1.81 0.05 0.10 -0.19 2.01 -0.45 -4.66 115.64 110.68 1xy3 s THR 28 Ca 0.33 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.49 1xy3 s THR 28 Cb -0.10 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1xy3 s THR 28 CO 0.26 0.07 -0.19 0.68 -0.69 0.00 0.00 174.62 174.75 1xy3 s VAL 29 N 0.57 2.76 -0.03 3.82 -7.23 -1.26 -0.02 120.40 119.00 1xy3 s VAL 29 Ca -0.05 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1xy3 s VAL 29 Cb -0.07 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1xy3 s VAL 29 CO -0.01 0.16 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.55 1xy3 s TYR 30 N -1.08 0.94 -0.01 2.82 2.02 0.17 -4.89 117.35 117.33 1xy3 s TYR 30 Ca 0.17 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1xy3 s TYR 30 Cb -0.10 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 1xy3 s TYR 30 CO 0.08 -0.14 -0.05 -2.00 -1.57 0.00 0.00 175.55 171.88 1xy3 s GLU 31 N 0.41 0.44 0.22 -0.62 2.12 -1.26 0.35 118.70 120.37 1xy3 s GLU 31 Ca -0.06 -0.15 -0.21 0.00 0.36 0.00 0.00 54.97 54.91 1xy3 s GLU 31 Cb -0.11 -0.45 0.04 0.00 0.26 0.00 0.00 34.13 33.87 1xy3 s GLU 31 CO 0.01 0.07 0.63 0.00 -0.54 0.00 0.00 175.26 175.43 1xy3 s MET 32 N 0.07 1.54 -0.14 4.30 0.23 0.18 -1.56 119.30 123.92 1xy3 s MET 32 Ca -0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 53.84 1xy3 s MET 32 Cb -0.04 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 33.83 1xy3 s MET 32 CO -0.00 -0.69 -0.14 0.99 -2.03 0.00 0.00 175.02 173.15 1xy3 s THR 33 N -3.86 2.89 0.06 3.16 2.01 0.03 -0.22 115.64 119.70 1xy3 s THR 33 Ca 0.08 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.44 1xy3 s THR 33 Cb -0.03 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1xy3 s THR 33 CO -0.01 0.52 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1xy3 s VAL 34 N 0.48 2.84 -0.02 3.82 1.01 -0.21 -1.14 120.40 127.18 1xy3 s VAL 34 Ca -0.10 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.63 1xy3 s VAL 34 Cb -0.16 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1xy3 s VAL 34 CO 0.05 0.27 -0.07 0.00 0.00 0.00 0.00 175.10 175.34 1xy3 s VAL 36 N 0.28 0.47 -0.06 0.00 1.01 -0.62 -0.08 120.40 121.40 1xy3 s VAL 36 Ca -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1xy3 s VAL 36 Cb -0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1xy3 s VAL 36 CO 0.00 0.14 -0.14 -0.76 0.00 0.00 0.00 175.10 174.34 1xy3 s LEU 37 N 1.92 2.72 0.12 3.92 1.43 -0.43 -1.73 118.68 126.62 1xy3 s LEU 37 Ca 0.03 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1xy3 s LEU 37 Cb -0.14 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1xy3 s LEU 37 CO -0.06 0.32 -0.03 -0.76 0.23 0.00 0.00 176.35 176.04 1xy3 s LEU 38 N -0.56 3.29 0.07 1.79 1.43 0.35 -0.57 118.68 124.49 1xy3 s LEU 38 Ca 0.08 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1xy3 s LEU 38 Cb -0.11 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1xy3 s LEU 38 CO 0.01 0.15 -0.10 -1.61 0.23 0.00 0.00 176.35 175.04 1xy3 s GLU 39 N -2.46 0.70 0.00 1.70 2.02 0.00 -2.74 118.70 117.93 1xy3 s GLU 39 Ca 0.25 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1xy3 s GLU 39 Cb -0.11 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.67 1xy3 s GLU 39 CO 0.17 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1xy3 n GLY 40 N 1.03 -0.50 3.09 -1.39 0.00 -1.26 -1.19 105.19 104.98 1xy3 n GLY 40 Ca -0.20 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1xy3 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xy3 n GLU 41 N 0.00 3.39 0.00 1.61 1.02 -0.12 -4.53 120.64 122.01 1xy3 n GLU 41 Ca 0.00 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.69 1xy3 n GLU 41 Cb 0.00 -3.07 0.00 0.00 -0.02 0.00 0.00 31.44 28.35 1xy3 n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xy3 n ILE 42 N 4.29 0.82 -0.32 -3.67 -5.35 -1.26 -4.79 119.36 109.08 1xy3 n ILE 42 Ca 0.42 -0.84 0.18 0.00 -0.27 0.00 0.00 62.75 62.23 1xy3 n ILE 42 Cb 0.40 0.60 0.43 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.54 0.00 6.28 3.07 -1.99 -1.74 114.58 120.74 1xy3 h GLU 43 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1xy3 h GLU 43 Cb 0.54 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1xy3 h GLU 43 CO 0.00 0.36 -0.01 1.79 -1.40 0.00 0.00 179.01 179.75 1xy3 h THR 44 N 0.56 0.07 0.00 1.13 1.35 -1.89 -0.36 112.91 113.76 1xy3 h THR 44 Ca 0.57 -0.10 -0.10 0.00 -0.55 0.00 0.00 66.41 66.23 1xy3 h THR 44 Cb 1.19 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1xy3 h THR 44 CO -0.33 0.01 -0.48 0.77 -0.25 0.00 0.00 175.52 175.24 1xy3 h SER 45 N 0.00 0.00 0.01 5.36 4.64 -1.35 0.14 113.55 122.36 1xy3 h SER 45 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1xy3 h SER 45 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1xy3 h SER 45 CO 0.00 0.48 -0.71 1.88 -0.87 0.00 0.00 176.83 177.61 1xy3 h TYR 46 N 0.00 0.05 0.11 4.77 -1.99 -1.26 -3.15 116.97 115.50 1xy3 h TYR 46 Ca -0.00 -0.04 -0.24 0.00 2.00 0.00 0.00 58.73 60.45 1xy3 h TYR 46 Cb 0.86 -0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.61 1xy3 h TYR 46 CO 0.00 1.28 -1.00 1.79 -0.00 0.00 0.00 178.16 180.23 1xy3 h THR 47 N -0.93 1.38 -0.02 -2.88 1.35 -1.25 -3.38 112.91 107.19 1xy3 h THR 47 Ca -0.19 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 1xy3 h THR 47 Cb 1.22 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 1xy3 h THR 47 CO -0.09 0.71 0.00 0.29 -0.25 0.00 0.00 175.52 176.18 1xy3 n LYS 48 N -3.98 0.37 -2.34 4.72 4.76 0.36 -4.98 118.16 117.07 1xy3 n LYS 48 Ca -0.13 -1.08 -0.16 0.00 -2.87 0.00 0.00 58.31 54.06 1xy3 n LYS 48 Cb 0.88 -1.18 -0.01 0.00 -1.84 0.00 0.00 35.03 32.88 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 0.53 -0.50 -2.56 7.82 0.00 -0.33 -4.95 120.51 120.52 1xy3 n ALA 49 Ca 0.06 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1xy3 n ALA 49 Cb 0.24 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 1xy3 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xy3 s ASP 50 N -2.29 6.48 0.28 0.00 2.15 -0.75 -4.92 116.67 117.62 1xy3 s ASP 50 Ca 0.01 0.10 0.23 0.00 0.43 0.00 0.00 52.55 53.33 1xy3 s ASP 50 Cb -0.01 -2.41 0.24 0.00 -0.30 0.00 0.00 42.92 40.45 1xy3 s ASP 50 CO 0.02 -0.89 1.35 0.78 -0.17 0.00 0.00 175.17 176.26 1xy3 h ASN 51 N 8.84 0.00 -0.57 -0.34 2.35 -1.91 -3.26 115.58 120.70 1xy3 h ASN 51 Ca -0.24 -0.03 0.17 0.00 -0.55 0.00 0.00 56.30 55.64 1xy3 h ASN 51 Cb 1.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1xy3 h ASN 51 CO 0.96 0.02 0.65 0.77 -1.65 0.00 0.00 177.43 178.17 1xy3 h SER 52 N 0.00 0.00 0.17 5.81 4.64 -1.99 0.85 113.55 123.03 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 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1xy3 h SER 52 CO 0.00 0.00 -0.30 1.33 -0.87 0.00 0.00 176.83 176.99 1xy3 n VAL 53 N -3.57 0.00 -3.16 0.95 0.24 -1.26 -4.90 118.33 106.64 1xy3 n VAL 53 Ca 0.11 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.34 61.86 1xy3 n VAL 53 Cb 0.85 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.76 1xy3 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xy3 s ILE 54 N -2.48 5.06 -0.36 1.34 -1.09 0.29 -4.92 121.20 119.05 1xy3 s ILE 54 Ca 0.23 1.15 -0.19 0.00 -2.23 0.00 0.00 60.65 59.61 1xy3 s ILE 54 Cb 0.19 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1xy3 s ILE 54 CO 0.52 0.17 0.57 -0.69 -1.23 0.00 0.00 174.94 174.28 1xy3 s VAL 55 N 1.56 4.95 0.37 2.92 1.01 -1.26 -5.02 120.40 124.93 1xy3 s VAL 55 Ca 0.29 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 1xy3 s VAL 55 Cb -0.16 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 1xy3 s VAL 55 CO 0.11 -0.28 0.86 0.00 0.00 0.00 0.00 175.10 175.79 1xy3 n ALA 56 N 5.89 -0.55 0.22 5.51 0.00 -1.26 -4.85 120.51 125.47 1xy3 n ALA 56 Ca -0.03 0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.76 1xy3 n ALA 56 Cb 0.49 -1.96 0.47 0.00 0.00 0.00 0.00 19.45 18.45 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 1.44 0.72 -0.11 0.00 1.35 -1.95 -1.68 112.91 112.67 1xy3 h THR 57 Ca -0.41 -1.12 -0.11 0.00 -0.55 0.00 0.00 66.41 64.22 1xy3 h THR 57 Cb 1.36 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 1xy3 h THR 57 CO 0.56 0.26 -0.42 -0.78 -0.25 0.00 0.00 175.52 174.89 1xy3 h ASP 58 N 0.00 0.26 1.35 5.36 3.58 -1.96 -1.88 116.42 123.13 1xy3 h ASP 58 Ca -0.00 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.22 1xy3 h ASP 58 Cb 0.69 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1xy3 h ASP 58 CO 0.03 0.65 -0.56 0.28 -2.88 0.00 0.00 179.24 176.76 1xy3 h SER 59 N 0.20 0.00 -0.28 2.28 0.02 -1.69 -1.89 113.55 112.20 1xy3 h SER 59 Ca 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1xy3 h SER 59 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1xy3 h SER 59 CO 0.07 0.56 -0.26 0.40 -1.14 0.00 0.00 176.83 176.46 1xy3 h ILE 60 N 0.00 1.27 0.77 3.27 2.04 -0.97 -0.70 117.51 123.19 1xy3 h ILE 60 Ca -0.01 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 1xy3 h ILE 60 Cb 1.39 1.26 0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1xy3 h ILE 60 CO 0.07 0.46 -0.37 0.50 0.00 0.00 0.00 178.15 178.81 1xy3 h LYS 61 N 0.66 -1.00 -0.75 2.37 3.64 -1.09 -1.40 116.57 119.00 1xy3 h LYS 61 Ca 0.08 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 59.70 1xy3 h LYS 61 Cb 0.78 0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 32.71 1xy3 h LYS 61 CO 0.06 -0.66 0.13 -0.91 -2.27 0.00 0.00 179.45 175.80 1xy3 h ASN 62 N -1.06 -0.10 -0.59 4.20 2.35 -1.22 -0.25 115.58 118.92 1xy3 h ASN 62 Ca -0.11 0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1xy3 h ASN 62 Cb 0.80 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 1xy3 h ASN 62 CO 0.17 -0.10 0.34 0.74 -1.65 0.00 0.00 177.43 176.94 1xy3 h THR 63 N 0.21 1.03 -0.47 2.81 2.02 -0.83 -0.17 112.91 117.51 1xy3 h THR 63 Ca 0.43 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.40 1xy3 h THR 63 Cb 0.75 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1xy3 h THR 63 CO -0.57 0.12 0.27 0.40 0.37 0.00 0.00 175.52 176.11 1xy3 h ILE 64 N 0.67 1.02 -0.15 3.11 2.04 0.06 0.30 117.51 124.56 1xy3 h ILE 64 Ca 0.24 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1xy3 h ILE 64 Cb 0.07 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1xy3 h ILE 64 CO -0.12 0.10 0.05 1.88 0.00 0.00 0.00 178.15 180.06 1xy3 h TYR 65 N 0.53 0.23 -0.27 1.37 0.05 -1.01 -1.88 116.97 116.00 1xy3 h TYR 65 Ca 0.20 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1xy3 h TYR 65 Cb 0.05 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1xy3 h TYR 65 CO -0.08 0.32 0.17 0.82 -1.05 0.00 0.00 178.16 178.34 1xy3 h ILE 66 N 0.07 1.08 -0.43 -2.88 2.04 -0.67 -2.03 117.51 114.69 1xy3 h ILE 66 Ca 0.05 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1xy3 h ILE 66 Cb 0.20 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1xy3 h ILE 66 CO -0.00 0.08 0.10 0.74 0.00 0.00 0.00 178.15 179.06 1xy3 h THR 67 N 0.35 0.78 -0.57 -0.27 2.02 -0.34 -1.48 112.91 113.40 1xy3 h THR 67 Ca 0.10 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1xy3 h THR 67 Cb -0.01 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1xy3 h THR 67 CO -0.02 0.04 0.33 0.00 0.37 0.00 0.00 175.52 176.24 1xy3 h ALA 68 N 1.32 0.75 -0.50 6.16 0.00 -1.01 -0.69 119.26 125.30 1xy3 h ALA 68 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1xy3 h ALA 68 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xy3 h ALA 68 CO -0.27 0.02 0.21 -0.22 0.00 0.00 0.00 179.25 178.99 1xy3 h LYS 69 N 0.63 0.70 0.00 0.00 1.63 -0.65 -3.03 116.57 115.86 1xy3 h LYS 69 Ca 0.24 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1xy3 h LYS 69 Cb 0.09 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1xy3 h LYS 69 CO -0.13 0.57 -0.66 1.04 -3.45 0.00 0.00 179.45 176.81 1xy3 n GLN 70 N -4.36 0.25 -4.26 1.90 6.02 -0.63 -4.97 117.38 111.33 1xy3 n GLN 70 Ca 0.04 0.06 -0.24 0.00 -0.01 0.00 0.00 57.00 56.85 1xy3 n GLN 70 Cb 0.14 -1.65 -0.07 0.00 1.02 0.00 0.00 30.24 29.69 1xy3 n GLN 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xy3 n ASN 71 N -2.00 1.58 -4.75 1.08 3.02 -0.32 -5.09 115.26 108.78 1xy3 n ASN 71 Ca 0.03 -3.01 -0.39 0.00 -0.03 0.00 0.00 54.58 51.18 1xy3 n ASN 71 Cb 0.42 0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 40.38 1xy3 n ASN 71 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1xy3 s PRO 72 N -3.48 4.37 0.00 3.52 0.02 -1.26 -4.80 135.00 133.37 1xy3 s PRO 72 Ca 0.16 0.79 0.24 0.00 0.02 0.00 0.00 61.00 62.21 1xy3 s PRO 72 Cb 0.01 -3.37 0.77 0.00 0.02 0.00 0.00 34.50 31.92 1xy3 s PRO 72 CO 0.11 0.28 1.58 1.33 -0.33 0.00 0.00 177.00 179.97 1xy3 n VAL 73 N 3.02 0.13 -4.18 3.83 0.24 -1.26 -4.37 118.33 115.73 1xy3 n VAL 73 Ca -0.05 -0.37 -0.16 0.00 -2.04 0.00 0.00 64.34 61.72 1xy3 n VAL 73 Cb 0.51 0.63 -0.15 0.00 -1.47 0.00 0.00 33.84 33.36 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 -1.87 0.45 0.67 3.34 -1.32 -1.26 -3.63 115.64 112.02 1xy3 s THR 74 Ca 0.35 -0.23 -0.12 0.00 -1.21 0.00 0.00 61.69 60.48 1xy3 s THR 74 Cb 0.20 -0.38 -0.00 0.00 -1.51 0.00 0.00 72.50 70.80 1xy3 s THR 74 CO 0.30 0.13 1.06 -2.16 -2.21 0.00 0.00 174.62 171.74 1xy3 s PRO 75 N -0.08 3.02 0.23 7.08 0.04 -1.26 -4.88 135.00 139.15 1xy3 s PRO 75 Ca 0.01 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 1xy3 s PRO 75 Cb -0.03 -2.00 0.37 0.00 0.04 0.00 0.00 34.50 32.89 1xy3 s PRO 75 CO -0.00 -1.03 1.73 -1.00 0.04 0.00 0.00 177.00 176.74 1xy3 h PRO 76 N -0.45 0.40 -0.99 0.56 0.13 -1.96 -0.51 132.00 129.18 1xy3 h PRO 76 Ca -0.44 -0.02 0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1xy3 h PRO 76 Cb 1.21 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1xy3 h PRO 76 CO 0.57 0.26 0.64 0.93 -0.23 0.00 0.00 178.00 180.17 1xy3 h GLU 77 N 0.41 0.43 0.13 0.86 3.07 -1.95 0.28 114.58 117.81 1xy3 h GLU 77 Ca 0.36 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1xy3 h GLU 77 Cb 0.52 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1xy3 h GLU 77 CO -0.37 0.29 -0.06 1.25 -1.40 0.00 0.00 179.01 178.72 1xy3 h LEU 78 N 0.45 -0.14 -0.97 1.33 5.85 -1.49 -2.97 115.31 117.37 1xy3 h LEU 78 Ca 0.55 -0.36 0.18 0.00 0.84 0.00 0.00 57.88 59.09 1xy3 h LEU 78 Cb 1.31 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.27 1xy3 h LEU 78 CO -0.26 0.46 0.57 0.15 -0.34 0.00 0.00 178.44 179.03 1xy3 h PHE 79 N -0.94 1.01 -0.55 1.25 3.57 -0.64 -0.38 116.94 120.25 1xy3 h PHE 79 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1xy3 h PHE 79 Cb 0.49 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1xy3 h PHE 79 CO 0.09 0.24 0.24 0.78 -2.23 0.00 0.00 178.31 177.43 1xy3 h GLY 80 N 0.75 0.88 0.97 2.40 0.00 -0.58 -1.50 103.07 105.99 1xy3 h GLY 80 Ca 0.55 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1xy3 h GLY 80 CO -0.37 0.44 0.23 1.76 0.00 0.00 0.00 176.54 178.59 1xy3 h SER 81 N 0.75 0.57 -0.07 0.19 0.02 -0.94 -0.81 113.55 113.27 1xy3 h SER 81 Ca 0.19 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1xy3 h SER 81 Cb 0.17 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1xy3 h SER 81 CO -0.02 0.52 0.04 0.40 -1.14 0.00 0.00 176.83 176.63 1xy3 h ILE 82 N 0.58 1.09 -0.85 3.27 2.04 -1.14 -0.66 117.51 121.85 1xy3 h ILE 82 Ca 0.16 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1xy3 h ILE 82 Cb 0.09 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1xy3 h ILE 82 CO -0.02 0.08 0.56 0.25 0.00 0.00 0.00 178.15 179.01 1xy3 h LEU 83 N 0.01 0.98 -0.42 1.44 5.85 -1.12 -1.69 115.31 120.37 1xy3 h LEU 83 Ca 0.02 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1xy3 h LEU 83 Cb 0.09 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1xy3 h LEU 83 CO -0.00 0.72 -0.52 1.23 -0.34 0.00 0.00 178.44 179.52 1xy3 h GLY 84 N 1.16 0.81 1.52 3.75 0.00 -1.03 -3.05 103.07 106.23 1xy3 h GLY 84 Ca 0.31 -0.92 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 1xy3 h GLY 84 CO -0.07 0.83 -0.01 -0.84 0.00 0.00 0.00 176.54 176.46 1xy3 h THR 85 N 0.57 1.21 -0.82 4.70 2.02 -0.84 -3.07 112.91 116.69 1xy3 h THR 85 Ca 0.02 -0.86 0.09 0.00 0.77 0.00 0.00 66.41 66.43 1xy3 h THR 85 Cb 1.10 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 1xy3 h THR 85 CO 0.11 0.30 0.46 -0.74 0.37 0.00 0.00 175.52 176.02 1xy3 h HIS 86 N 0.56 0.84 -0.30 3.16 6.17 -1.19 -2.58 115.15 121.81 1xy3 h HIS 86 Ca 0.12 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.13 1xy3 h HIS 86 Cb 0.37 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1xy3 h HIS 86 CO 0.01 0.34 -0.20 0.74 0.71 0.00 0.00 177.93 179.53 1xy3 h PHE 87 N 0.77 0.77 0.00 5.26 0.04 -1.62 -1.89 116.94 120.27 1xy3 h PHE 87 Ca 0.39 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1xy3 h PHE 87 Cb 0.37 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1xy3 h PHE 87 CO -0.06 0.91 0.00 -0.84 -0.60 0.00 0.00 178.31 177.72 1xy3 h ILE 88 N 0.41 0.00 0.00 -0.55 3.07 -1.60 -2.02 117.51 116.81 1xy3 h ILE 88 Ca 0.06 -0.44 -0.11 0.00 1.55 0.00 0.00 64.86 65.92 1xy3 h ILE 88 Cb 0.74 1.33 -0.02 0.00 -0.27 0.00 0.00 36.82 38.60 1xy3 h ILE 88 CO 0.05 0.00 -1.58 -0.62 -1.05 0.00 0.00 178.15 174.95 1xy3 n GLU 89 N -2.67 0.64 0.02 0.16 1.02 -0.99 -4.33 120.64 114.48 1xy3 n GLU 89 Ca 0.02 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.32 1xy3 n GLU 89 Cb 0.31 -1.71 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 1xy3 n GLU 89 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xy3 n LYS 90 N -2.66 0.65 -4.71 3.49 3.00 -0.72 -4.92 118.16 112.29 1xy3 n LYS 90 Ca -0.09 -0.09 -0.30 0.00 -0.00 0.00 0.00 58.31 57.83 1xy3 n LYS 90 Cb 0.74 -1.61 -0.17 0.00 0.00 0.00 0.00 35.03 34.00 1xy3 n LYS 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1xy3 s TYR 91 N -3.40 2.17 0.14 5.64 2.02 -0.77 -5.03 117.35 118.11 1xy3 s TYR 91 Ca -0.06 -0.98 -0.17 0.00 -0.37 0.00 0.00 57.07 55.49 1xy3 s TYR 91 Cb 0.12 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1xy3 s TYR 91 CO 0.87 -0.46 1.77 -0.91 -1.57 0.00 0.00 175.55 175.26 1xy3 h ASN 92 N 7.15 0.23 0.74 2.29 2.35 -1.88 -3.08 115.58 123.38 1xy3 h ASN 92 Ca -0.28 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1xy3 h ASN 92 Cb 1.20 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1xy3 h ASN 92 CO 0.49 0.17 -0.15 0.00 -1.65 0.00 0.00 177.43 176.30 1xy3 n HIS 93 N -4.96 0.00 -3.12 1.19 1.44 -1.26 -4.78 115.22 103.73 1xy3 n HIS 93 Ca -0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1xy3 n HIS 93 Cb 0.08 -0.37 -0.07 0.00 0.12 0.00 0.00 29.99 29.75 1xy3 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xy3 s ILE 94 N -2.89 4.98 -0.55 0.61 -1.09 -1.16 -0.95 121.20 120.15 1xy3 s ILE 94 Ca 0.16 1.01 0.09 0.00 -2.23 0.00 0.00 60.65 59.68 1xy3 s ILE 94 Cb 0.19 -3.95 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 1xy3 s ILE 94 CO 0.56 -0.03 0.44 1.41 -1.23 0.00 0.00 174.94 176.10 1xy3 n HIS 95 N 5.75 0.00 -3.69 3.97 8.25 -0.33 -4.52 115.22 124.66 1xy3 n HIS 95 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1xy3 n HIS 95 Cb 0.49 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.64 -1.31 -0.07 -1.41 0.00 -1.08 -0.42 121.76 115.83 1xy3 s ALA 96 Ca 0.05 1.60 0.03 0.00 0.00 0.00 0.00 51.96 53.63 1xy3 s ALA 96 Cb 0.07 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1xy3 s ALA 96 CO 0.31 -0.27 -0.14 0.00 0.00 0.00 0.00 175.76 175.66 1xy3 s ALA 97 N 0.67 1.42 -0.34 0.00 0.00 -0.09 -0.82 121.76 122.60 1xy3 s ALA 97 Ca -0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1xy3 s ALA 97 Cb -0.05 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.54 1xy3 s ALA 97 CO -0.05 0.15 0.07 -1.01 0.00 0.00 0.00 175.76 174.92 1xy3 s HIS 98 N 0.61 3.44 -0.22 0.00 3.76 0.26 -1.26 115.29 121.88 1xy3 s HIS 98 Ca -0.15 -2.25 -0.08 0.00 -0.15 0.00 0.00 55.06 52.43 1xy3 s HIS 98 Cb -0.16 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 1xy3 s HIS 98 CO 0.05 -0.88 0.09 0.08 -0.85 0.00 0.00 174.74 173.22 1xy3 s VAL 99 N 1.15 4.75 -0.18 -0.90 1.01 -0.35 -1.31 120.40 124.57 1xy3 s VAL 99 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1xy3 s VAL 99 Cb -0.21 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1xy3 s VAL 99 CO -0.03 0.39 -0.11 0.21 0.00 0.00 0.00 175.10 175.55 1xy3 s ASN 100 N 0.99 3.93 -0.05 3.32 2.47 0.88 -1.10 114.94 125.37 1xy3 s ASN 100 Ca 0.05 -0.43 0.05 0.00 0.42 0.00 0.00 52.86 52.95 1xy3 s ASN 100 Cb -0.14 -1.63 -0.01 0.00 -1.45 0.00 0.00 41.25 38.02 1xy3 s ASN 100 CO 0.03 0.05 -0.21 -0.63 -3.72 0.00 0.00 177.10 172.62 1xy3 s ILE 101 N 1.05 1.75 -0.21 -5.21 1.01 -0.43 -0.12 121.20 119.05 1xy3 s ILE 101 Ca -0.00 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1xy3 s ILE 101 Cb -0.15 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 40.87 1xy3 s ILE 101 CO -0.02 0.49 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 1xy3 s VAL 102 N -0.01 1.80 -0.18 2.92 1.01 -0.29 -1.56 120.40 124.10 1xy3 s VAL 102 Ca -0.05 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 1xy3 s VAL 102 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1xy3 s VAL 102 CO 0.03 0.19 0.43 0.00 0.00 0.00 0.00 175.10 175.76 1xy3 s HIS 104 N 1.11 3.51 -0.24 0.00 3.76 -0.60 -3.16 115.29 119.68 1xy3 s HIS 104 Ca 0.21 0.61 -0.27 0.00 -0.15 0.00 0.00 55.06 55.47 1xy3 s HIS 104 Cb -0.15 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.51 1xy3 s HIS 104 CO 0.08 0.47 0.95 1.03 -0.85 0.00 0.00 174.74 176.43 1xy3 s ARG 105 N -2.38 4.22 -0.59 1.40 0.52 -1.26 -4.51 118.95 116.35 1xy3 s ARG 105 Ca 0.38 1.18 0.04 0.00 -0.52 0.00 0.00 55.73 56.81 1xy3 s ARG 105 Cb -0.13 -3.64 0.16 0.00 0.52 0.00 0.00 34.95 31.86 1xy3 s ARG 105 CO 0.22 -0.59 0.40 -1.58 0.02 0.00 0.00 175.30 173.77 1xy3 s TRP 106 N 3.06 2.82 0.21 -0.53 0.23 -1.26 -4.25 118.94 119.22 1xy3 s TRP 106 Ca 0.40 -2.99 -0.30 0.00 -2.03 0.00 0.00 56.10 51.18 1xy3 s TRP 106 Cb -0.15 -2.27 -0.08 0.00 0.03 0.00 0.00 33.47 31.00 1xy3 s TRP 106 CO 0.07 -0.66 1.09 0.99 0.96 0.00 0.00 176.95 179.39 1xy3 s THR 107 N -0.75 3.76 0.17 2.01 2.01 0.41 -4.73 115.64 118.53 1xy3 s THR 107 Ca 0.24 1.61 -0.31 0.00 0.31 0.00 0.00 61.69 63.54 1xy3 s THR 107 Cb -0.09 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1xy3 s THR 107 CO -0.12 0.32 1.46 -0.60 -0.69 0.00 0.00 174.62 174.99 1xy3 s ARG 108 N -0.78 4.28 0.30 4.92 3.52 -1.26 -0.03 118.95 129.90 1xy3 s ARG 108 Ca 0.47 2.22 -0.29 0.00 -0.13 0.00 0.00 55.73 58.00 1xy3 s ARG 108 Cb -0.30 -3.18 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 1xy3 s ARG 108 CO 0.37 -0.48 1.23 -1.64 -0.81 0.00 0.00 175.30 173.97 1xy3 s MET 109 N 0.72 4.46 -0.44 5.12 -1.94 0.08 -4.86 119.30 122.45 1xy3 s MET 109 Ca 0.65 2.05 -0.09 0.00 -1.71 0.00 0.00 55.69 56.58 1xy3 s MET 109 Cb -0.40 -3.13 0.09 0.00 2.01 0.00 0.00 34.83 33.40 1xy3 s MET 109 CO 0.34 -0.05 0.29 -0.51 -0.01 0.00 0.00 175.02 175.08 1xy3 s ASP 110 N -0.54 5.68 -0.22 3.03 1.01 -1.26 -0.52 116.67 123.85 1xy3 s ASP 110 Ca 0.48 -1.63 -0.07 0.00 0.71 0.00 0.00 52.55 52.04 1xy3 s ASP 110 Cb -0.37 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1xy3 s ASP 110 CO 0.47 -0.59 0.05 -0.63 0.21 0.00 0.00 175.17 174.68 1xy3 s ILE 111 N 1.41 4.38 -1.59 0.77 -1.09 -0.94 -4.42 121.20 119.73 1xy3 s ILE 111 Ca 0.04 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1xy3 s ILE 111 Cb -0.24 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 1xy3 s ILE 111 CO 0.01 0.39 0.00 0.47 -1.23 0.00 0.00 174.94 174.58 1xy3 n ASP 112 N 4.37 -5.15 -0.42 3.58 8.00 -1.26 -1.79 116.55 123.87 1xy3 n ASP 112 Ca -0.16 0.08 -0.05 0.00 0.71 0.00 0.00 54.79 55.37 1xy3 n ASP 112 Cb 0.52 -4.23 -0.02 0.00 -0.02 0.00 0.00 41.12 37.37 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 -0.97 0.69 2.75 0.44 0.00 -1.26 -5.02 105.19 101.82 1xy3 n GLY 113 Ca -0.20 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 1xy3 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xy3 s LYS 114 N -2.69 -0.04 0.10 1.61 -2.85 -0.74 -5.12 119.74 110.02 1xy3 s LYS 114 Ca 0.00 0.34 -0.36 0.00 -1.00 0.00 0.00 55.97 54.95 1xy3 s LYS 114 Cb 0.00 -0.36 -0.17 0.00 -2.06 0.00 0.00 37.83 35.24 1xy3 s LYS 114 CO 0.00 -0.26 1.23 -2.30 0.10 0.00 0.00 175.35 174.12 1xy3 n PRO 115 N 4.82 0.95 -3.08 1.78 -0.02 -1.26 -2.21 135.00 135.98 1xy3 n PRO 115 Ca -0.14 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1xy3 n PRO 115 Cb 0.50 -1.91 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.19 3.75 0.48 6.00 2.46 0.32 -4.86 115.29 123.63 1xy3 s HIS 116 Ca 0.82 1.39 0.15 0.00 0.47 0.00 0.00 55.06 57.89 1xy3 s HIS 116 Cb -0.97 -2.72 1.10 0.00 -0.13 0.00 0.00 32.58 29.87 1xy3 s HIS 116 CO 0.50 0.37 2.06 -1.00 -2.47 0.00 0.00 174.74 174.19 1xy3 h PRO 117 N 5.34 0.02 -0.20 2.88 0.13 -1.92 -3.36 132.00 134.89 1xy3 h PRO 117 Ca -0.45 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1xy3 h PRO 117 Cb 1.20 -0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 1xy3 h PRO 117 CO 0.69 0.11 -0.74 -2.39 -0.23 0.00 0.00 178.00 175.44 1xy3 n HIS 118 N -4.41 -0.16 -4.34 1.56 1.44 -1.26 0.26 115.22 108.30 1xy3 n HIS 118 Ca -0.03 -1.70 -0.23 0.00 -2.01 0.00 0.00 57.72 53.76 1xy3 n HIS 118 Cb 0.18 0.48 -0.16 0.00 0.12 0.00 0.00 29.99 30.60 1xy3 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1xy3 s SER 119 N -2.45 1.41 0.19 4.39 0.01 -1.26 -5.05 113.70 110.95 1xy3 s SER 119 Ca 0.19 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.31 1xy3 s SER 119 Cb 0.35 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1xy3 s SER 119 CO -0.08 -0.02 -0.14 -0.36 0.41 0.00 0.00 173.24 173.05 1xy3 s PHE 120 N 0.86 1.62 0.03 2.43 0.40 -1.26 -0.74 117.98 121.33 1xy3 s PHE 120 Ca -0.12 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.64 1xy3 s PHE 120 Cb -0.15 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 1xy3 s PHE 120 CO 0.01 0.30 -0.10 -1.50 0.70 0.00 0.00 175.22 174.64 1xy3 s ILE 121 N -2.99 0.73 -1.00 0.64 2.07 0.96 -4.86 121.20 116.75 1xy3 s ILE 121 Ca 0.21 -0.85 -0.17 0.00 -1.41 0.00 0.00 60.65 58.43 1xy3 s ILE 121 Cb -0.00 -0.70 0.14 0.00 0.13 0.00 0.00 42.46 42.03 1xy3 s ILE 121 CO 0.06 -0.12 1.21 -0.60 -1.91 0.00 0.00 174.94 173.57 1xy3 s ARG 122 N -1.07 3.74 -0.04 3.50 6.06 -1.26 -0.44 118.95 129.44 1xy3 s ARG 122 Ca -0.03 -2.00 0.01 0.00 -2.50 0.00 0.00 55.73 51.22 1xy3 s ARG 122 Cb -0.07 -4.95 0.09 0.00 0.06 0.00 0.00 34.95 30.08 1xy3 s ARG 122 CO 0.01 -1.76 0.78 -0.40 -2.50 0.00 0.00 175.30 171.43 1xy3 n ASP 123 N 6.25 2.01 0.00 -2.12 5.75 -1.26 -4.88 116.55 122.30 1xy3 n ASP 123 Ca 0.27 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1xy3 n ASP 123 Cb 0.47 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1xy3 n ASP 123 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1xy3 n SER 124 N 0.14 0.00 -1.28 -1.12 2.88 -1.26 -4.97 113.62 108.02 1xy3 n SER 124 Ca 0.04 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.69 1xy3 n SER 124 Cb 0.44 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.21 1xy3 n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xy3 n GLU 125 N -0.54 2.64 -2.43 -1.46 -0.58 -1.26 -4.66 120.64 112.36 1xy3 n GLU 125 Ca 0.00 -2.47 -0.39 0.00 -0.42 0.00 0.00 57.16 53.88 1xy3 n GLU 125 Cb 0.00 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.28 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 -1.14 4.42 0.22 3.49 2.12 -1.26 -4.75 118.70 121.81 1xy3 s GLU 126 Ca 0.46 1.79 0.09 0.00 0.36 0.00 0.00 54.97 57.67 1xy3 s GLU 126 Cb 0.24 -2.96 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 1xy3 s GLU 126 CO 0.31 0.02 -0.17 0.15 -0.54 0.00 0.00 175.26 175.02 1xy3 s LYS 127 N -1.83 1.42 -0.17 4.30 -0.14 0.09 -4.39 119.74 119.02 1xy3 s LYS 127 Ca 0.50 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.51 1xy3 s LYS 127 Cb -0.30 -1.37 0.02 0.00 -1.68 0.00 0.00 37.83 34.50 1xy3 s LYS 127 CO 0.39 0.25 -0.18 0.50 -0.76 0.00 0.00 175.35 175.55 1xy3 s ARG 128 N -3.40 2.80 0.37 1.68 3.52 -1.19 -1.65 118.95 121.08 1xy3 s ARG 128 Ca 0.23 -0.75 0.07 0.00 -0.13 0.00 0.00 55.73 55.15 1xy3 s ARG 128 Cb -0.03 -2.44 -0.07 0.00 -1.56 0.00 0.00 34.95 30.85 1xy3 s ARG 128 CO 0.09 -0.22 -0.02 -0.80 -0.81 0.00 0.00 175.30 173.55 1xy3 s ASN 129 N 1.34 3.55 -0.03 -2.12 -0.87 -0.28 -1.25 114.94 115.29 1xy3 s ASN 129 Ca 0.05 -1.31 -0.11 0.00 -1.57 0.00 0.00 52.86 49.92 1xy3 s ASN 129 Cb -0.13 -0.33 0.02 0.00 -0.02 0.00 0.00 41.25 40.79 1xy3 s ASN 129 CO -0.12 -0.39 0.24 0.68 -2.57 0.00 0.00 177.10 174.93 1xy3 s VAL 130 N -2.78 0.06 -0.25 1.60 -7.23 -0.60 -2.10 120.40 109.09 1xy3 s VAL 130 Ca 0.34 -0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 1xy3 s VAL 130 Cb 0.07 -0.50 0.08 0.00 0.56 0.00 0.00 36.38 36.59 1xy3 s VAL 130 CO 0.17 -0.25 0.06 -1.58 -0.31 0.00 0.00 175.10 173.19 1xy3 s GLN 131 N -1.05 0.71 -0.19 4.82 0.74 -0.49 -1.32 119.66 122.88 1xy3 s GLN 131 Ca -0.11 -0.75 -0.08 0.00 0.05 0.00 0.00 55.36 54.47 1xy3 s GLN 131 Cb -0.05 -2.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.99 1xy3 s GLN 131 CO 0.03 -0.81 0.07 0.08 -0.55 0.00 0.00 175.29 174.10 1xy3 s VAL 132 N 1.74 4.80 -0.28 1.34 1.01 -0.26 -1.65 120.40 127.10 1xy3 s VAL 132 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1xy3 s VAL 132 Cb -0.17 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.08 1xy3 s VAL 132 CO -0.17 0.44 -0.04 -1.81 0.00 0.00 0.00 175.10 173.52 1xy3 s ASP 133 N 0.54 4.68 -0.38 3.32 1.01 0.32 -1.21 116.67 124.94 1xy3 s ASP 133 Ca 0.04 -1.24 -0.10 0.00 0.71 0.00 0.00 52.55 51.96 1xy3 s ASP 133 Cb -0.13 -1.66 0.04 0.00 1.01 0.00 0.00 42.92 42.18 1xy3 s ASP 133 CO 0.01 -0.22 0.21 -0.69 0.21 0.00 0.00 175.17 174.69 1xy3 s VAL 134 N 1.23 4.41 -0.17 -1.27 1.01 -0.39 -0.83 120.40 124.39 1xy3 s VAL 134 Ca -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1xy3 s VAL 134 Cb -0.19 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1xy3 s VAL 134 CO -0.03 -0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 173.91 1xy3 s VAL 135 N 1.51 2.33 -0.19 2.92 1.01 -1.09 -0.92 120.40 125.97 1xy3 s VAL 135 Ca 0.02 -0.87 -0.40 0.00 0.00 0.00 0.00 61.98 60.73 1xy3 s VAL 135 Cb -0.20 -1.98 -0.16 0.00 0.00 0.00 0.00 36.38 34.04 1xy3 s VAL 135 CO 0.05 0.53 1.62 1.21 0.00 0.00 0.00 175.10 178.51 1xy3 n GLU 136 N 4.36 1.08 -1.68 2.72 2.13 0.44 -1.05 120.64 128.65 1xy3 n GLU 136 Ca -0.20 0.39 -0.11 0.00 0.66 0.00 0.00 57.16 57.91 1xy3 n GLU 136 Cb 0.51 -2.06 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 1xy3 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xy3 n GLY 137 N 3.70 0.67 0.21 8.31 0.00 -1.26 -4.85 105.19 111.97 1xy3 n GLY 137 Ca 0.24 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.41 0.00 0.00 1.61 5.02 -0.21 -5.15 118.16 117.01 1xy3 n LYS 138 Ca -0.11 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1xy3 n LYS 138 Cb 0.45 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 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 0.00 -1.11 3.07 0.72 0.00 -1.21 -4.84 105.19 101.82 1xy3 n GLY 139 Ca 0.00 -1.22 -0.31 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 1.73 -0.16 -0.61 1.01 0.53 -2.68 121.20 121.02 1xy3 s ILE 140 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1xy3 s ILE 140 Cb 0.00 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1xy3 s ILE 140 CO 0.00 0.49 0.24 -1.81 0.00 0.00 0.00 174.94 173.86 1xy3 s ASP 141 N 1.28 6.38 -0.10 3.58 1.01 -0.01 -2.24 116.67 126.58 1xy3 s ASP 141 Ca 0.02 0.44 0.03 0.00 0.71 0.00 0.00 52.55 53.74 1xy3 s ASP 141 Cb -0.13 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.65 1xy3 s ASP 141 CO -0.09 0.15 -0.18 -0.63 0.21 0.00 0.00 175.17 174.63 1xy3 s ILE 142 N 0.30 1.67 -0.22 0.77 1.01 -1.26 -0.52 121.20 122.95 1xy3 s ILE 142 Ca 0.14 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1xy3 s ILE 142 Cb -0.12 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1xy3 s ILE 142 CO 0.02 0.47 -0.15 -0.54 0.00 0.00 0.00 174.94 174.75 1xy3 s LYS 143 N 0.63 2.70 0.16 2.79 1.02 -0.66 -1.65 119.74 124.73 1xy3 s LYS 143 Ca -0.14 -1.03 0.04 0.00 0.02 0.00 0.00 55.97 54.86 1xy3 s LYS 143 Cb -0.16 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1xy3 s LYS 143 CO 0.04 -0.36 0.21 -1.12 -0.92 0.00 0.00 175.35 173.20 1xy3 s SER 144 N 1.23 5.91 0.14 2.83 0.01 -0.28 -1.40 113.70 122.14 1xy3 s SER 144 Ca -0.01 0.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.02 1xy3 s SER 144 Cb -0.16 -1.67 0.07 0.00 0.21 0.00 0.00 66.02 64.47 1xy3 s SER 144 CO -0.09 0.06 0.91 -0.94 0.41 0.00 0.00 173.24 173.59 1xy3 s SER 145 N -3.17 -0.23 -0.02 2.44 1.04 -0.89 -0.25 113.70 112.62 1xy3 s SER 145 Ca 0.33 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1xy3 s SER 145 Cb -0.10 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1xy3 s SER 145 CO 0.26 -0.90 -0.04 -1.48 0.98 0.00 0.00 173.24 172.05 1xy3 s LEU 146 N -2.86 1.66 0.14 2.42 0.05 -0.44 -1.13 118.68 118.52 1xy3 s LEU 146 Ca 0.11 -0.10 -0.02 0.00 0.05 0.00 0.00 54.13 54.17 1xy3 s LEU 146 Cb -0.02 -0.33 -0.04 0.00 -2.05 0.00 0.00 46.19 43.76 1xy3 s LEU 146 CO 0.00 0.00 0.09 -0.94 -0.55 0.00 0.00 176.35 174.96 1xy3 s SER 147 N 0.39 0.26 -0.10 1.48 1.04 -0.66 -1.64 113.70 114.47 1xy3 s SER 147 Ca -0.04 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1xy3 s SER 147 Cb -0.08 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1xy3 s SER 147 CO -0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1xy3 n GLY 148 N -0.13 0.49 3.50 7.32 0.00 -1.18 -0.73 105.19 114.46 1xy3 n GLY 148 Ca -0.05 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1xy3 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xy3 s LEU 149 N -0.22 4.01 -0.30 0.99 2.96 -1.23 -4.02 118.68 120.88 1xy3 s LEU 149 Ca 0.00 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.09 1xy3 s LEU 149 Cb 0.00 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1xy3 s LEU 149 CO 0.00 -1.48 0.35 -0.89 -1.32 0.00 0.00 176.35 173.00 1xy3 s THR 150 N 4.45 5.19 0.20 3.68 2.01 -1.26 0.39 115.64 130.29 1xy3 s THR 150 Ca 0.28 0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1xy3 s THR 150 Cb -0.14 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1xy3 s THR 150 CO 0.14 0.07 -0.11 0.68 -0.69 0.00 0.00 174.62 174.72 1xy3 s VAL 151 N 2.02 1.50 -0.15 3.82 -7.23 -0.59 -5.01 120.40 114.76 1xy3 s VAL 151 Ca 0.13 -2.14 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 1xy3 s VAL 151 Cb -0.16 -2.07 0.04 0.00 0.56 0.00 0.00 36.38 34.75 1xy3 s VAL 151 CO 0.11 -0.57 0.40 -0.22 -0.31 0.00 0.00 175.10 174.50 1xy3 s LEU 152 N -3.29 0.47 -0.11 1.32 0.20 -1.26 -1.72 118.68 114.29 1xy3 s LEU 152 Ca 0.22 0.80 0.01 0.00 0.69 0.00 0.00 54.13 55.85 1xy3 s LEU 152 Cb 0.01 1.37 0.02 0.00 -0.43 0.00 0.00 46.19 47.16 1xy3 s LEU 152 CO 0.06 -0.14 -0.12 -1.59 -0.29 0.00 0.00 176.35 174.27 1xy3 s LYS 153 N 0.22 1.89 0.00 1.98 -2.85 -0.52 -4.99 119.74 115.47 1xy3 s LYS 153 Ca -0.00 -0.42 0.15 0.00 -1.00 0.00 0.00 55.97 54.70 1xy3 s LYS 153 Cb -0.03 -1.75 0.70 0.00 -2.06 0.00 0.00 37.83 34.70 1xy3 s LYS 153 CO 0.00 -0.17 1.47 -1.13 0.10 0.00 0.00 175.35 175.63 1xy3 n SER 154 N 4.55 0.00 -1.52 0.03 3.41 -1.26 -1.90 113.62 116.93 1xy3 n SER 154 Ca -0.17 0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1xy3 n SER 154 Cb 0.51 -0.42 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1xy3 n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1xy3 n THR 155 N -1.42 0.00 -3.38 6.66 5.66 -1.26 -4.48 114.28 116.06 1xy3 n THR 155 Ca 0.05 -0.22 -0.19 0.00 -3.05 0.00 0.00 64.05 60.64 1xy3 n THR 155 Cb 0.16 0.24 0.07 0.00 -1.55 0.00 0.00 70.33 69.25 1xy3 n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xy3 n ASN 156 N -1.01 -4.97 -3.71 1.09 4.13 -1.26 -4.86 115.26 104.66 1xy3 n ASN 156 Ca -0.02 -0.47 -0.13 0.00 1.68 0.00 0.00 54.58 55.64 1xy3 n ASN 156 Cb 0.16 -4.34 -0.14 0.00 -1.54 0.00 0.00 39.78 33.92 1xy3 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xy3 s SER 157 N -3.45 -0.02 0.26 6.41 0.15 -1.25 -4.26 113.70 111.54 1xy3 s SER 157 Ca 0.40 0.48 0.05 0.00 0.70 0.00 0.00 55.95 57.58 1xy3 s SER 157 Cb -0.17 0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1xy3 s SER 157 CO 0.62 -0.19 -0.02 -1.10 1.20 0.00 0.00 173.24 173.75 1xy3 s GLN 158 N 1.58 1.45 -0.29 5.44 -0.21 -1.04 -0.89 119.66 125.70 1xy3 s GLN 158 Ca -0.06 -1.74 0.04 0.00 0.02 0.00 0.00 55.36 53.62 1xy3 s GLN 158 Cb -0.11 -0.83 0.18 0.00 1.00 0.00 0.00 33.01 33.25 1xy3 s GLN 158 CO -0.08 -0.06 0.52 0.12 -2.12 0.00 0.00 175.29 173.67 1xy3 s PHE 159 N -3.26 -1.52 0.10 0.91 5.36 0.10 -3.81 117.98 115.87 1xy3 s PHE 159 Ca 0.30 0.81 -0.15 0.00 -0.96 0.00 0.00 56.93 56.93 1xy3 s PHE 159 Cb 0.05 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.90 1xy3 s PHE 159 CO 0.10 -1.04 0.35 1.67 -1.46 0.00 0.00 175.22 174.85 1xy3 s TRP 160 N 2.72 -0.14 0.00 10.12 1.48 -1.26 -1.14 118.94 130.73 1xy3 s TRP 160 Ca 0.10 -0.16 0.00 0.00 -1.06 0.00 0.00 56.10 54.98 1xy3 s TRP 160 Cb -0.11 0.18 0.00 0.00 -1.16 0.00 0.00 33.47 32.38 1xy3 s TRP 160 CO -0.27 -0.64 0.00 0.41 -4.06 0.00 0.00 176.95 172.38 1xy3 n GLY 161 N -0.05 0.74 3.87 3.67 0.00 -1.26 -5.04 105.19 107.11 1xy3 n GLY 161 Ca -0.16 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 3.56 0.25 1.61 -0.71 -1.26 -4.99 117.98 114.44 1xy3 s PHE 162 Ca 0.00 1.26 -0.30 0.00 -1.04 0.00 0.00 56.93 56.85 1xy3 s PHE 162 Cb 0.00 -2.67 -0.14 0.00 -1.21 0.00 0.00 43.02 39.00 1xy3 s PHE 162 CO 0.00 -0.50 1.09 -0.11 -1.34 0.00 0.00 175.22 174.36 1xy3 n LEU 163 N -2.23 1.81 -3.87 -1.99 0.00 -1.26 -4.99 117.00 104.47 1xy3 n LEU 163 Ca 0.05 1.16 -0.27 0.00 0.00 0.00 0.00 56.01 56.96 1xy3 n LEU 163 Cb 0.54 -1.28 -0.17 0.00 0.00 0.00 0.00 43.42 42.52 1xy3 n LEU 163 CO 0.53 -1.29 -0.42 -0.13 0.00 0.00 0.00 177.39 176.07 1xy3 s ARG 164 N -1.07 1.33 0.00 1.96 0.52 -1.26 -4.97 118.95 115.46 1xy3 s ARG 164 Ca 0.64 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 1xy3 s ARG 164 Cb -0.75 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1xy3 s ARG 164 CO 0.56 -0.32 0.00 -0.40 0.02 0.00 0.00 175.30 175.16 1xy3 n ASP 165 N 4.96 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 121.15 1xy3 n ASP 165 Ca -0.11 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.28 1xy3 n ASP 165 Cb 0.49 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.05 1xy3 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1xy3 n GLU 166 N 0.00 0.51 -0.01 0.11 0.00 -1.26 -2.32 120.64 117.68 1xy3 n GLU 166 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 57.16 57.27 1xy3 n GLU 166 Cb 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.00 1xy3 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1xy3 n TYR 167 N -1.11 0.02 -3.74 -1.84 4.01 -1.26 -4.98 117.16 108.25 1xy3 n TYR 167 Ca 0.13 -0.01 -0.36 0.00 -0.16 0.00 0.00 57.90 57.50 1xy3 n TYR 167 Cb 0.11 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.18 5.41 0.00 -0.72 2.01 -0.98 -4.93 115.64 115.26 1xy3 s THR 168 Ca 0.17 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1xy3 s THR 168 Cb 0.12 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1xy3 s THR 168 CO 0.18 0.48 0.00 0.35 -0.69 0.00 0.00 174.62 174.94 1xy3 n THR 169 N 3.15 0.00 -2.05 -0.82 -2.24 -1.26 -4.84 114.28 106.22 1xy3 n THR 169 Ca -0.16 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1xy3 n THR 169 Cb 0.53 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1xy3 n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xy3 s LEU 170 N -0.95 4.36 0.13 3.22 2.96 -1.26 -5.00 118.68 122.14 1xy3 s LEU 170 Ca 0.00 2.42 -0.21 0.00 -0.22 0.00 0.00 54.13 56.12 1xy3 s LEU 170 Cb 0.00 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.04 1xy3 s LEU 170 CO 0.00 -0.77 0.66 -0.54 -1.32 0.00 0.00 176.35 174.38 1xy3 s LYS 171 N 1.67 4.30 0.67 1.98 1.02 -1.26 -5.05 119.74 123.08 1xy3 s LYS 171 Ca 0.68 0.87 -0.16 0.00 0.02 0.00 0.00 55.97 57.38 1xy3 s LYS 171 Cb -0.39 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1xy3 s LYS 171 CO 0.30 0.56 1.20 -1.21 -0.92 0.00 0.00 175.35 175.29 1xy3 s GLU 172 N -1.34 2.54 -0.03 1.68 2.02 -1.26 -5.01 118.70 117.30 1xy3 s GLU 172 Ca 0.34 1.76 -0.07 0.00 0.02 0.00 0.00 54.97 57.01 1xy3 s GLU 172 Cb -0.20 -1.88 0.01 0.00 0.10 0.00 0.00 34.13 32.16 1xy3 s GLU 172 CO 0.22 -1.53 0.17 -0.08 0.02 0.00 0.00 175.26 174.06 1xy3 s THR 173 N -1.85 0.05 -0.70 3.63 -1.32 -0.29 -5.00 115.64 110.15 1xy3 s THR 173 Ca 0.75 -0.37 0.07 0.00 -1.21 0.00 0.00 61.69 60.92 1xy3 s THR 173 Cb -0.29 -0.37 0.14 0.00 -1.51 0.00 0.00 72.50 70.47 1xy3 s THR 173 CO 0.40 -0.21 0.99 0.79 -2.21 0.00 0.00 174.62 174.38 1xy3 n TRP 174 N 2.11 0.18 -3.15 9.09 8.01 -1.26 0.01 117.44 132.43 1xy3 n TRP 174 Ca -0.18 -0.30 0.04 0.00 -1.31 0.00 0.00 57.50 55.75 1xy3 n TRP 174 Cb 0.57 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.31 29.84 1xy3 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1xy3 s ASP 175 N -0.84 -1.24 0.25 -0.99 2.15 -1.23 -4.58 116.67 110.20 1xy3 s ASP 175 Ca 0.12 0.60 -0.09 0.00 0.43 0.00 0.00 52.55 53.61 1xy3 s ASP 175 Cb 0.07 1.97 -0.01 0.00 -0.30 0.00 0.00 42.92 44.65 1xy3 s ASP 175 CO 0.10 -0.23 0.40 0.00 -0.17 0.00 0.00 175.17 175.27 1xy3 s ARG 176 N 2.87 1.53 0.27 4.34 1.70 -0.07 -4.99 118.95 124.61 1xy3 s ARG 176 Ca 0.15 -1.42 -0.21 0.00 -0.47 0.00 0.00 55.73 53.79 1xy3 s ARG 176 Cb -0.13 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 1xy3 s ARG 176 CO -0.21 -0.61 0.81 0.42 -1.08 0.00 0.00 175.30 174.63 1xy3 s ILE 177 N -3.89 4.45 -0.22 4.99 1.01 -1.26 -3.97 121.20 122.32 1xy3 s ILE 177 Ca 0.27 1.44 -0.02 0.00 0.00 0.00 0.00 60.65 62.35 1xy3 s ILE 177 Cb 0.01 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.67 1xy3 s ILE 177 CO 0.11 0.13 0.02 -0.22 0.00 0.00 0.00 174.94 174.99 1xy3 s LEU 178 N -2.13 1.68 0.03 2.97 2.96 -0.80 -4.89 118.68 118.51 1xy3 s LEU 178 Ca 0.47 -1.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.42 1xy3 s LEU 178 Cb -0.16 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 1xy3 s LEU 178 CO 0.21 -0.30 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.21 1xy3 s SER 179 N 1.71 2.17 0.11 3.68 0.15 -1.26 -1.44 113.70 118.82 1xy3 s SER 179 Ca -0.01 -0.47 -0.26 0.00 0.70 0.00 0.00 55.95 55.91 1xy3 s SER 179 Cb -0.18 -0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.03 1xy3 s SER 179 CO -0.10 0.13 0.89 0.28 1.20 0.00 0.00 173.24 175.64 1xy3 s THR 180 N -0.75 0.00 -0.12 6.45 -1.32 -0.70 -1.07 115.64 118.13 1xy3 s THR 180 Ca 0.06 -0.42 -0.04 0.00 -1.21 0.00 0.00 61.69 60.08 1xy3 s THR 180 Cb -0.08 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 1xy3 s THR 180 CO 0.01 0.00 0.01 -1.81 -2.21 0.00 0.00 174.62 170.62 1xy3 s ASP 181 N -2.78 5.27 -0.20 8.08 1.01 -1.24 -1.54 116.67 125.28 1xy3 s ASP 181 Ca 0.09 0.09 -0.10 0.00 0.71 0.00 0.00 52.55 53.34 1xy3 s ASP 181 Cb -0.02 -1.66 -0.05 0.00 1.01 0.00 0.00 42.92 42.21 1xy3 s ASP 181 CO -0.02 0.30 0.13 -0.69 0.21 0.00 0.00 175.17 175.09 1xy3 s VAL 182 N -0.39 5.35 -0.34 -1.27 1.01 0.16 -3.83 120.40 121.09 1xy3 s VAL 182 Ca 0.08 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1xy3 s VAL 182 Cb -0.12 -3.44 0.11 0.00 0.00 0.00 0.00 36.38 32.92 1xy3 s VAL 182 CO 0.02 0.43 0.11 -0.62 0.00 0.00 0.00 175.10 175.05 1xy3 s ASP 183 N 0.42 4.16 -0.10 3.32 -1.08 -1.20 -3.11 116.67 119.08 1xy3 s ASP 183 Ca 0.08 -1.97 0.02 0.00 -0.52 0.00 0.00 52.55 50.15 1xy3 s ASP 183 Cb -0.11 -1.10 -0.02 0.00 -1.46 0.00 0.00 42.92 40.23 1xy3 s ASP 183 CO -0.01 -0.38 -0.15 0.00 0.52 0.00 0.00 175.17 175.15 1xy3 s ALA 184 N 1.18 2.57 -0.03 3.66 0.00 -0.65 -1.55 121.76 126.94 1xy3 s ALA 184 Ca 0.12 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1xy3 s ALA 184 Cb -0.19 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.86 1xy3 s ALA 184 CO -0.16 0.36 -0.09 0.99 0.00 0.00 0.00 175.76 176.86 1xy3 s THR 185 N -0.02 0.78 -0.09 0.00 2.01 0.49 -1.33 115.64 117.48 1xy3 s THR 185 Ca -0.04 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.67 1xy3 s THR 185 Cb -0.14 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 1xy3 s THR 185 CO 0.04 0.25 -0.24 -1.66 -0.69 0.00 0.00 174.62 172.32 1xy3 s TRP 186 N 0.35 2.53 -0.28 4.92 -2.14 0.65 0.81 118.94 125.77 1xy3 s TRP 186 Ca -0.06 -0.96 -0.10 0.00 2.66 0.00 0.00 56.10 57.65 1xy3 s TRP 186 Cb -0.10 -1.68 -0.03 0.00 -3.10 0.00 0.00 33.47 28.56 1xy3 s TRP 186 CO 0.01 -0.36 0.16 -1.14 -2.66 0.00 0.00 176.95 172.95 1xy3 s GLN 187 N 0.20 3.71 0.58 3.25 0.74 -0.21 -1.13 119.66 126.81 1xy3 s GLN 187 Ca -0.15 -0.47 -0.15 0.00 0.05 0.00 0.00 55.36 54.64 1xy3 s GLN 187 Cb -0.17 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 1xy3 s GLN 187 CO 0.07 -0.25 1.04 -1.58 -0.55 0.00 0.00 175.29 174.02 1xy3 s TRP 188 N 1.69 3.12 0.46 1.67 0.52 -0.66 -0.33 118.94 125.41 1xy3 s TRP 188 Ca 0.06 1.49 -0.24 0.00 0.02 0.00 0.00 56.10 57.44 1xy3 s TRP 188 Cb -0.16 -2.94 -0.07 0.00 -1.15 0.00 0.00 33.47 29.14 1xy3 s TRP 188 CO 0.08 -0.95 1.25 0.21 0.02 0.00 0.00 176.95 177.56 1xy3 s LYS 189 N -4.18 3.69 -0.03 4.98 2.20 -0.59 -4.52 119.74 121.29 1xy3 s LYS 189 Ca 0.62 2.00 -0.36 0.00 -0.36 0.00 0.00 55.97 57.87 1xy3 s LYS 189 Cb -0.14 -2.49 -0.14 0.00 -1.51 0.00 0.00 37.83 33.55 1xy3 s LYS 189 CO 0.38 -0.67 1.70 -1.71 -0.36 0.00 0.00 175.35 174.68 1xy3 n ASN 190 N -0.40 2.91 -4.84 1.43 2.85 -1.26 -4.85 115.26 111.10 1xy3 n ASN 190 Ca 0.07 1.04 -0.37 0.00 -0.11 0.00 0.00 54.58 55.21 1xy3 n ASN 190 Cb 0.46 -1.32 -0.06 0.00 1.24 0.00 0.00 39.78 40.10 1xy3 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xy3 s PHE 191 N 2.61 3.69 0.23 1.20 0.08 -0.95 -4.93 117.98 119.93 1xy3 s PHE 191 Ca 0.89 0.99 -0.03 0.00 0.12 0.00 0.00 56.93 58.90 1xy3 s PHE 191 Cb -0.79 -2.29 0.25 0.00 -0.57 0.00 0.00 43.02 39.61 1xy3 s PHE 191 CO 0.50 0.59 1.66 0.66 -0.10 0.00 0.00 175.22 178.53 1xy3 h SER 192 N 4.37 0.73 -1.94 1.36 4.64 -1.93 0.15 113.55 120.92 1xy3 h SER 192 Ca -0.51 -0.25 0.29 0.00 -0.47 0.00 0.00 61.79 60.86 1xy3 h SER 192 Cb 1.21 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.05 1xy3 h SER 192 CO 0.63 0.92 0.78 0.61 -0.87 0.00 0.00 176.83 178.90 1xy3 n GLY 193 N -0.31 0.29 0.31 -0.77 0.00 -1.26 -4.28 105.19 99.17 1xy3 n GLY 193 Ca 0.00 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.11 1xy3 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xy3 h LEU 194 N 0.00 0.32 -0.15 0.99 6.46 -1.93 -2.11 115.31 118.89 1xy3 h LEU 194 Ca -0.19 0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1xy3 h LEU 194 Cb 1.04 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 1xy3 h LEU 194 CO 0.28 0.02 -0.07 -0.61 -0.62 0.00 0.00 178.44 177.44 1xy3 h GLN 195 N 0.41 -0.05 -0.89 1.25 4.15 -1.99 -0.05 115.11 117.94 1xy3 h GLN 195 Ca 0.54 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.94 1xy3 h GLN 195 Cb 0.99 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 1xy3 h GLN 195 CO -0.51 -0.03 0.48 1.49 -1.93 0.00 0.00 178.83 178.33 1xy3 h GLU 196 N -0.05 1.25 -0.72 1.69 4.81 -1.80 -1.99 114.58 117.77 1xy3 h GLU 196 Ca 0.08 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1xy3 h GLU 196 Cb 0.18 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1xy3 h GLU 196 CO -0.18 0.92 0.28 0.28 -0.73 0.00 0.00 179.01 179.58 1xy3 h VAL 197 N 1.26 1.25 0.00 0.32 2.07 -1.11 -2.07 116.25 117.97 1xy3 h VAL 197 Ca 0.31 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1xy3 h VAL 197 Cb 0.04 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1xy3 h VAL 197 CO -0.05 0.32 -0.05 0.03 0.02 0.00 0.00 177.57 177.84 1xy3 h ARG 198 N 1.04 0.00 0.00 1.57 3.08 -0.40 -2.23 114.38 117.43 1xy3 h ARG 198 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1xy3 h ARG 198 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1xy3 h ARG 198 CO -0.02 0.05 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 1xy3 h SER 199 N 0.00 0.00 -0.33 7.04 4.64 -0.67 -3.24 113.55 120.99 1xy3 h SER 199 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xy3 h SER 199 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1xy3 h SER 199 CO 0.01 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.38 1xy3 n HIS 200 N -2.62 0.44 -0.34 4.77 8.25 -0.85 -4.80 115.22 120.06 1xy3 n HIS 200 Ca 0.04 -0.48 -0.00 0.00 -0.26 0.00 0.00 57.72 57.02 1xy3 n HIS 200 Cb 0.43 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.57 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 1.99 0.05 0.00 1.59 2.07 -1.56 -0.27 116.25 120.13 1xy3 h VAL 201 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xy3 h VAL 201 Cb 0.72 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1xy3 h VAL 201 CO 0.00 0.00 0.18 -0.65 0.02 0.00 0.00 177.57 177.12 1xy3 h PRO 202 N -0.03 0.00 0.00 1.57 0.11 -1.89 -1.37 132.00 130.40 1xy3 h PRO 202 Ca 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1xy3 h PRO 202 Cb 0.61 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1xy3 h PRO 202 CO -0.93 0.00 -0.41 0.87 -0.21 0.00 0.00 178.00 177.32 1xy3 h LYS 203 N 0.00 0.00 0.22 1.05 1.57 -1.42 -3.30 116.57 114.68 1xy3 h LYS 203 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xy3 h LYS 203 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xy3 h LYS 203 CO 0.00 0.02 -0.10 0.74 -0.57 0.00 0.00 179.45 179.54 1xy3 h PHE 204 N 0.00 -0.27 -0.25 -1.35 0.04 -1.35 0.10 116.94 113.86 1xy3 h PHE 204 Ca -0.00 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 1xy3 h PHE 204 Cb 1.02 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 1xy3 h PHE 204 CO 0.00 0.07 -0.27 -0.44 -0.60 0.00 0.00 178.31 177.07 1xy3 h ASP 205 N -0.64 0.49 -0.08 2.17 5.19 -1.74 -2.39 116.42 119.43 1xy3 h ASP 205 Ca -0.03 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.18 1xy3 h ASP 205 Cb 0.46 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 1xy3 h ASP 205 CO 0.05 0.75 -0.07 0.00 -3.12 0.00 0.00 179.24 176.85 1xy3 h ALA 206 N 1.28 0.11 -0.48 3.45 0.00 -1.64 -2.19 119.26 119.80 1xy3 h ALA 206 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1xy3 h ALA 206 Cb 0.70 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xy3 h ALA 206 CO 0.05 -0.09 0.27 1.15 0.00 0.00 0.00 179.25 180.64 1xy3 h THR 207 N -0.24 1.14 -0.16 0.00 2.02 -0.95 -0.20 112.91 114.52 1xy3 h THR 207 Ca 0.01 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1xy3 h THR 207 Cb 0.57 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1xy3 h THR 207 CO 0.02 0.15 -0.01 -0.25 0.37 0.00 0.00 175.52 175.80 1xy3 h TRP 208 N 0.66 0.33 -0.94 3.16 7.01 -1.37 0.03 115.95 124.82 1xy3 h TRP 208 Ca 0.17 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1xy3 h TRP 208 Cb -0.00 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 26.93 1xy3 h TRP 208 CO 0.00 0.53 0.58 0.00 -2.79 0.00 0.00 178.44 176.76 1xy3 h ALA 209 N 0.75 1.26 -0.29 2.65 0.00 -0.90 -1.42 119.26 121.30 1xy3 h ALA 209 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xy3 h ALA 209 Cb 0.41 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xy3 h ALA 209 CO 0.01 0.65 0.05 1.15 0.00 0.00 0.00 179.25 181.11 1xy3 h THR 210 N 1.29 1.23 -0.97 0.00 2.02 -0.86 -0.88 112.91 114.74 1xy3 h THR 210 Ca 0.34 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1xy3 h THR 210 Cb -0.08 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1xy3 h THR 210 CO -0.07 0.26 0.64 0.00 0.37 0.00 0.00 175.52 176.72 1xy3 h ALA 211 N 0.88 1.34 0.15 6.16 0.00 -0.61 -1.26 119.26 125.91 1xy3 h ALA 211 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xy3 h ALA 211 Cb 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xy3 h ALA 211 CO 0.01 0.59 -0.07 -0.09 0.00 0.00 0.00 179.25 179.69 1xy3 h ARG 212 N 1.28 -0.19 -0.88 0.00 2.43 -1.02 -2.68 114.38 113.31 1xy3 h ARG 212 Ca 0.37 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1xy3 h ARG 212 Cb -0.08 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1xy3 h ARG 212 CO -0.10 0.13 0.54 1.49 -1.51 0.00 0.00 179.97 180.53 1xy3 h GLU 213 N -0.53 1.18 -0.60 0.20 4.81 -0.97 -2.03 114.58 116.64 1xy3 h GLU 213 Ca -0.02 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 1xy3 h GLU 213 Cb 0.41 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1xy3 h GLU 213 CO 0.03 0.82 -0.01 0.28 -0.73 0.00 0.00 179.01 179.40 1xy3 h VAL 214 N 1.21 1.27 -0.08 0.32 2.07 -1.26 -1.35 116.25 118.42 1xy3 h VAL 214 Ca 0.32 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1xy3 h VAL 214 Cb -0.07 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xy3 h VAL 214 CO -0.06 0.42 0.03 0.74 0.02 0.00 0.00 177.57 178.72 1xy3 h THR 215 N 0.96 1.13 -0.16 2.57 2.02 -1.16 -0.31 112.91 117.97 1xy3 h THR 215 Ca 0.17 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1xy3 h THR 215 Cb 0.57 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1xy3 h THR 215 CO 0.03 0.12 0.08 -0.07 0.37 0.00 0.00 175.52 176.05 1xy3 h LEU 216 N -0.02 0.20 0.58 2.58 4.07 -1.32 -2.04 115.31 119.36 1xy3 h LEU 216 Ca 0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1xy3 h LEU 216 Cb 0.15 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 41.85 1xy3 h LEU 216 CO -0.00 0.24 -0.28 0.50 -1.08 0.00 0.00 178.44 177.82 1xy3 h LYS 217 N 0.14 -0.75 -0.57 1.13 3.64 -1.20 -1.97 116.57 117.00 1xy3 h LYS 217 Ca 0.05 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1xy3 h LYS 217 Cb 0.09 0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 1xy3 h LYS 217 CO -0.01 -0.44 0.04 1.15 -2.27 0.00 0.00 179.45 177.92 1xy3 h THR 218 N -0.95 0.58 -0.21 1.00 2.02 -1.09 0.40 112.91 114.66 1xy3 h THR 218 Ca -0.08 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1xy3 h THR 218 Cb 0.65 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1xy3 h THR 218 CO 0.13 0.03 0.11 0.15 0.37 0.00 0.00 175.52 176.31 1xy3 h PHE 219 N 0.16 0.20 -0.58 3.16 3.57 -1.36 0.43 116.94 122.52 1xy3 h PHE 219 Ca 0.30 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 1xy3 h PHE 219 Cb 0.46 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1xy3 h PHE 219 CO -0.31 0.11 -0.00 0.00 -2.23 0.00 0.00 178.31 175.88 1xy3 h ALA 220 N 1.11 0.89 0.00 2.41 0.00 -0.52 -3.32 119.26 119.82 1xy3 h ALA 220 Ca 0.09 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1xy3 h ALA 220 Cb 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1xy3 h ALA 220 CO -0.06 0.65 -1.69 0.39 0.00 0.00 0.00 179.25 178.54 1xy3 n GLU 221 N -4.18 0.64 -2.22 0.00 1.02 0.05 -4.92 120.64 111.02 1xy3 n GLU 221 Ca 0.03 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 1xy3 n GLU 221 Cb 0.34 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1xy3 n GLU 221 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xy3 s ASP 222 N -5.73 6.86 -0.87 1.62 2.15 0.13 -4.96 116.67 115.88 1xy3 s ASP 222 Ca -0.05 2.15 -0.00 0.00 0.43 0.00 0.00 52.55 55.08 1xy3 s ASP 222 Cb 0.08 -2.57 0.25 0.00 -0.30 0.00 0.00 42.92 40.38 1xy3 s ASP 222 CO 0.82 -0.69 0.92 -3.20 -0.17 0.00 0.00 175.17 172.86 1xy3 n ASN 223 N 4.96 4.55 -4.73 -0.34 2.85 -1.26 -4.87 115.26 116.42 1xy3 n ASN 223 Ca 0.12 -3.27 -0.26 0.00 -0.11 0.00 0.00 54.58 51.07 1xy3 n ASN 223 Cb 0.44 -1.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.39 1xy3 n ASN 223 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1xy3 s SER 224 N -1.12 5.09 -0.32 1.20 0.15 -1.26 -4.93 113.70 112.52 1xy3 s SER 224 Ca 0.31 -0.31 0.10 0.00 0.70 0.00 0.00 55.95 56.75 1xy3 s SER 224 Cb 0.01 -1.19 0.77 0.00 -1.71 0.00 0.00 66.02 63.90 1xy3 s SER 224 CO -0.05 0.06 1.81 0.00 1.20 0.00 0.00 173.24 176.26 1xy3 n ALA 225 N -0.40 4.52 -3.45 5.45 0.00 -1.25 -2.48 120.51 122.90 1xy3 n ALA 225 Ca -0.09 -2.30 -0.08 0.00 0.00 0.00 0.00 53.44 50.98 1xy3 n ALA 225 Cb 0.56 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 1xy3 n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xy3 s SER 226 N -1.00 -0.08 0.36 0.00 0.15 -1.26 -4.51 113.70 107.37 1xy3 s SER 226 Ca 0.55 0.57 0.06 0.00 0.70 0.00 0.00 55.95 57.84 1xy3 s SER 226 Cb 0.44 1.29 0.70 0.00 -1.71 0.00 0.00 66.02 66.74 1xy3 s SER 226 CO 0.14 -0.27 1.92 0.58 1.20 0.00 0.00 173.24 176.80 1xy3 h VAL 227 N 6.16 1.18 -0.22 4.45 2.07 -1.91 -1.81 116.25 126.17 1xy3 h VAL 227 Ca -0.18 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1xy3 h VAL 227 Cb 1.14 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1xy3 h VAL 227 CO 0.21 0.23 0.14 1.56 0.02 0.00 0.00 177.57 179.74 1xy3 h GLN 228 N 0.42 0.28 -0.71 1.57 7.50 -1.98 -1.24 115.11 120.94 1xy3 h GLN 228 Ca 0.09 -0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.19 1xy3 h GLN 228 Cb 0.29 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.72 1xy3 h GLN 228 CO 0.01 0.18 0.30 0.00 -1.50 0.00 0.00 178.83 177.82 1xy3 h ALA 229 N 1.08 1.19 -0.22 3.87 0.00 -1.78 -2.27 119.26 121.13 1xy3 h ALA 229 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xy3 h ALA 229 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xy3 h ALA 229 CO -0.02 0.59 -0.02 1.15 0.00 0.00 0.00 179.25 180.95 1xy3 h THR 230 N 1.02 1.27 0.00 0.00 2.02 -0.94 -2.67 112.91 113.60 1xy3 h THR 230 Ca 0.24 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 1xy3 h THR 230 Cb 0.17 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1xy3 h THR 230 CO -0.02 0.29 -0.32 0.00 0.37 0.00 0.00 175.52 175.84 1xy3 h MET 231 N 0.16 0.00 -0.46 6.66 -0.00 -1.13 -2.43 114.93 117.72 1xy3 h MET 231 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.64 1xy3 h MET 231 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1xy3 h MET 231 CO 0.02 0.32 -0.18 -0.92 -0.00 0.00 0.00 176.91 176.14 1xy3 h TYR 232 N 0.00 1.08 -0.95 -0.10 3.20 -1.32 -2.37 116.97 116.51 1xy3 h TYR 232 Ca -0.00 -0.26 0.04 0.00 3.14 0.00 0.00 58.73 61.65 1xy3 h TYR 232 Cb 0.60 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 1xy3 h TYR 232 CO 0.00 1.06 0.62 0.87 -1.64 0.00 0.00 178.16 179.06 1xy3 h LYS 233 N 0.79 1.15 -0.19 1.82 1.57 -1.09 -1.14 116.57 119.47 1xy3 h LYS 233 Ca 0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1xy3 h LYS 233 Cb 0.75 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1xy3 h LYS 233 CO 0.06 0.76 0.08 0.52 -0.57 0.00 0.00 179.45 180.31 1xy3 h MET 234 N 1.18 0.28 -0.57 3.15 2.86 -1.20 -2.76 114.93 117.88 1xy3 h MET 234 Ca 0.38 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.98 1xy3 h MET 234 Cb 0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1xy3 h MET 234 CO -0.13 0.32 0.37 0.00 1.06 0.00 0.00 176.91 178.54 1xy3 h ALA 235 N 0.94 0.72 0.00 6.32 0.00 -0.98 -2.43 119.26 123.83 1xy3 h ALA 235 Ca 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xy3 h ALA 235 Cb 0.14 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1xy3 h ALA 235 CO -0.01 0.15 -0.39 0.93 0.00 0.00 0.00 179.25 179.94 1xy3 h GLU 236 N 0.76 -0.52 -0.76 0.00 5.08 -1.09 -0.42 114.58 117.63 1xy3 h GLU 236 Ca 0.21 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1xy3 h GLU 236 Cb -0.08 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1xy3 h GLU 236 CO -0.05 -0.35 0.42 1.96 -1.00 0.00 0.00 179.01 179.99 1xy3 h GLN 237 N -0.54 0.70 -0.50 2.33 4.20 -1.34 -0.86 115.11 119.09 1xy3 h GLN 237 Ca 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1xy3 h GLN 237 Cb 0.62 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1xy3 h GLN 237 CO -0.30 0.46 0.23 0.82 -0.67 0.00 0.00 178.83 179.37 1xy3 h ILE 238 N 0.72 1.20 -0.26 2.54 2.04 -0.90 -1.12 117.51 121.72 1xy3 h ILE 238 Ca 0.36 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1xy3 h ILE 238 Cb 0.32 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1xy3 h ILE 238 CO -0.24 0.22 -0.13 -0.07 0.00 0.00 0.00 178.15 177.93 1xy3 h LEU 239 N 0.66 0.43 -0.63 1.44 3.38 -0.56 -2.59 115.31 117.44 1xy3 h LEU 239 Ca 0.17 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1xy3 h LEU 239 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xy3 h LEU 239 CO -0.02 0.59 -0.46 0.00 0.09 0.00 0.00 178.44 178.64 1xy3 h ALA 240 N 1.45 0.87 0.00 1.53 0.00 -0.80 -3.26 119.26 119.05 1xy3 h ALA 240 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xy3 h ALA 240 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xy3 h ALA 240 CO 0.03 0.58 -0.76 0.54 0.00 0.00 0.00 179.25 179.64 1xy3 n ARG 241 N -3.45 0.11 -3.59 0.00 1.74 -0.46 -4.79 116.66 106.22 1xy3 n ARG 241 Ca 0.00 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.83 1xy3 n ARG 241 Cb 0.60 -1.54 -0.16 0.00 -1.02 0.00 0.00 32.46 30.33 1xy3 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1xy3 s GLN 242 N -3.07 0.08 0.30 5.56 2.00 -1.00 -5.02 119.66 118.51 1xy3 s GLN 242 Ca 0.08 -0.09 0.11 0.00 -2.00 0.00 0.00 55.36 53.46 1xy3 s GLN 242 Cb 0.16 -1.72 0.47 0.00 0.80 0.00 0.00 33.01 32.72 1xy3 s GLN 242 CO 0.76 -0.70 1.68 0.37 -0.50 0.00 0.00 175.29 176.90 1xy3 h GLN 243 N 8.41 0.00 0.00 1.67 5.75 -1.87 -3.09 115.11 125.98 1xy3 h GLN 243 Ca -0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1xy3 h GLN 243 Cb 1.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1xy3 h GLN 243 CO 0.30 0.54 0.00 1.28 -2.65 0.00 0.00 178.83 178.30 1xy3 n LEU 244 N -3.89 0.00 -4.75 -2.39 4.32 -1.26 -4.71 117.00 104.32 1xy3 n LEU 244 Ca -0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.61 1xy3 n LEU 244 Cb 0.55 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.28 1xy3 n LEU 244 CO 0.41 0.00 -0.05 -0.63 -1.22 0.00 0.00 177.39 175.90 1xy3 s ILE 245 N -2.00 5.32 -0.20 -0.08 -1.09 -1.17 -1.55 121.20 120.43 1xy3 s ILE 245 Ca 0.28 0.49 -0.20 0.00 -2.23 0.00 0.00 60.65 58.98 1xy3 s ILE 245 Cb 0.13 -3.59 -0.20 0.00 -1.58 0.00 0.00 42.46 37.21 1xy3 s ILE 245 CO 0.21 0.43 0.24 -0.33 -1.23 0.00 0.00 174.94 174.26 1xy3 h GLU 246 N 6.37 0.03 -3.99 2.79 5.08 -0.96 -3.47 114.58 120.43 1xy3 h GLU 246 Ca -0.43 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 57.75 1xy3 h GLU 246 Cb 1.17 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 1xy3 h GLU 246 CO 0.73 1.02 -0.58 0.95 -1.00 0.00 0.00 179.01 180.13 1xy3 s THR 247 N -2.38 0.16 -0.10 1.13 -4.23 -1.21 -3.87 115.64 105.13 1xy3 s THR 247 Ca -0.28 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1xy3 s THR 247 Cb 0.06 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.82 1xy3 s THR 247 CO 0.61 -0.74 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.14 1xy3 s VAL 248 N -3.10 1.24 -0.13 2.29 1.01 -0.03 -1.04 120.40 120.64 1xy3 s VAL 248 Ca -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1xy3 s VAL 248 Cb 0.02 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1xy3 s VAL 248 CO -0.07 0.39 -0.12 -0.70 0.00 0.00 0.00 175.10 174.61 1xy3 s GLU 249 N 1.19 3.40 -0.02 2.72 2.12 0.24 -1.10 118.70 127.24 1xy3 s GLU 249 Ca -0.04 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 54.71 1xy3 s GLU 249 Cb -0.14 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 1xy3 s GLU 249 CO -0.03 0.24 -0.25 0.71 -0.54 0.00 0.00 175.26 175.39 1xy3 s TYR 250 N 0.30 2.24 -0.28 5.30 2.02 -0.24 -0.38 117.35 126.31 1xy3 s TYR 250 Ca -0.09 -0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1xy3 s TYR 250 Cb -0.15 -1.44 0.10 0.00 -0.40 0.00 0.00 41.96 40.06 1xy3 s TYR 250 CO 0.05 -0.05 0.12 0.45 -1.57 0.00 0.00 175.55 174.55 1xy3 s SER 251 N -0.56 3.49 -0.27 2.29 0.15 -0.60 -1.42 113.70 116.79 1xy3 s SER 251 Ca 0.09 -1.27 -0.05 0.00 0.70 0.00 0.00 55.95 55.41 1xy3 s SER 251 Cb -0.10 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1xy3 s SER 251 CO -0.01 -0.42 0.03 -0.76 1.20 0.00 0.00 173.24 173.28 1xy3 s LEU 252 N 2.02 3.53 -0.55 3.45 1.43 -0.35 -3.23 118.68 124.98 1xy3 s LEU 252 Ca 0.08 -0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 1xy3 s LEU 252 Cb -0.16 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.28 1xy3 s LEU 252 CO -0.32 -0.13 0.86 -2.84 0.23 0.00 0.00 176.35 174.15 1xy3 s PRO 253 N 1.48 3.26 -0.28 1.29 0.02 -1.25 -1.53 135.00 137.99 1xy3 s PRO 253 Ca 0.03 -0.48 -0.29 0.00 0.02 0.00 0.00 61.00 60.29 1xy3 s PRO 253 Cb -0.16 -4.08 -0.03 0.00 0.02 0.00 0.00 34.50 30.25 1xy3 s PRO 253 CO 0.00 -1.44 1.82 1.21 -0.33 0.00 0.00 177.00 178.26 1xy3 s ASN 254 N 2.88 5.96 -0.26 2.53 3.84 0.21 -3.66 114.94 126.44 1xy3 s ASN 254 Ca 0.26 1.49 -0.21 0.00 0.21 0.00 0.00 52.86 54.61 1xy3 s ASN 254 Cb -0.15 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 38.01 1xy3 s ASN 254 CO 0.16 -1.62 0.64 -0.54 -2.79 0.00 0.00 177.10 172.96 1xy3 s LYS 255 N 5.49 4.11 0.12 0.43 1.02 -0.23 -2.93 119.74 127.74 1xy3 s LYS 255 Ca 0.81 0.57 -0.14 0.00 0.02 0.00 0.00 55.97 57.23 1xy3 s LYS 255 Cb -0.25 -3.65 -0.07 0.00 -0.52 0.00 0.00 37.83 33.34 1xy3 s LYS 255 CO 0.33 -0.43 0.52 -1.01 -0.92 0.00 0.00 175.35 173.85 1xy3 s HIS 256 N 2.53 3.63 -0.22 3.18 3.76 -1.26 -4.02 115.29 122.88 1xy3 s HIS 256 Ca 0.27 1.04 0.01 0.00 -0.15 0.00 0.00 55.06 56.23 1xy3 s HIS 256 Cb -0.15 -2.35 0.05 0.00 1.11 0.00 0.00 32.58 31.24 1xy3 s HIS 256 CO 0.08 0.47 -0.08 0.71 -0.85 0.00 0.00 174.74 175.07 1xy3 s TYR 257 N -1.41 2.50 0.23 1.40 1.51 -1.26 -0.73 117.35 119.59 1xy3 s TYR 257 Ca 0.36 -1.75 -0.19 0.00 -1.01 0.00 0.00 57.07 54.48 1xy3 s TYR 257 Cb -0.15 -1.64 -0.08 0.00 -0.11 0.00 0.00 41.96 39.97 1xy3 s TYR 257 CO 0.19 -0.77 0.72 -0.06 -1.11 0.00 0.00 175.55 174.51 1xy3 s PHE 258 N 1.36 3.60 0.31 2.71 0.40 -0.49 -4.83 117.98 121.05 1xy3 s PHE 258 Ca -0.04 1.34 -0.28 0.00 -0.60 0.00 0.00 56.93 57.35 1xy3 s PHE 258 Cb -0.18 -2.59 -0.09 0.00 0.51 0.00 0.00 43.02 40.67 1xy3 s PHE 258 CO -0.07 0.30 1.04 -1.21 0.70 0.00 0.00 175.22 175.99 1xy3 s GLU 259 N -2.13 4.52 -0.40 0.44 2.02 -1.26 -0.50 118.70 121.39 1xy3 s GLU 259 Ca 0.44 1.62 -0.07 0.00 0.02 0.00 0.00 54.97 56.99 1xy3 s GLU 259 Cb -0.16 -2.97 0.08 0.00 0.10 0.00 0.00 34.13 31.19 1xy3 s GLU 259 CO 0.20 0.16 0.21 0.42 0.02 0.00 0.00 175.26 176.28 1xy3 s ILE 260 N -1.36 3.86 -0.30 -1.63 1.01 -1.24 -4.85 121.20 116.68 1xy3 s ILE 260 Ca 0.49 -1.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.30 1xy3 s ILE 260 Cb -0.27 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1xy3 s ILE 260 CO 0.34 -0.50 1.54 -0.62 0.00 0.00 0.00 174.94 175.69 1xy3 s ASP 261 N 1.95 6.34 0.00 3.58 2.15 -1.26 -4.68 116.67 124.75 1xy3 s ASP 261 Ca 0.03 1.29 0.12 0.00 0.43 0.00 0.00 52.55 54.42 1xy3 s ASP 261 Cb -0.23 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 39.95 1xy3 s ASP 261 CO 0.00 -1.34 0.86 0.18 -0.17 0.00 0.00 175.17 174.70 1xy3 n LEU 262 N 8.69 1.94 -0.37 -1.34 4.77 -1.26 -4.68 117.00 124.75 1xy3 n LEU 262 Ca 0.18 -0.98 0.29 0.00 -0.03 0.00 0.00 56.01 55.47 1xy3 n LEU 262 Cb 0.46 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.13 1xy3 n LEU 262 CO 0.66 0.37 1.23 0.77 -1.33 0.00 0.00 177.39 179.09 1xy3 h SER 263 N 2.24 0.34 0.00 -1.43 4.64 -1.52 0.26 113.55 118.09 1xy3 h SER 263 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1xy3 h SER 263 Cb 0.48 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1xy3 h SER 263 CO 0.00 -0.03 0.07 -2.67 -0.87 0.00 0.00 176.83 173.33 1xy3 n TRP 264 N -4.64 0.20 -3.83 4.77 4.27 -1.26 -1.32 117.44 115.62 1xy3 n TRP 264 Ca 0.30 0.10 -0.35 0.00 -3.89 0.00 0.00 57.50 53.67 1xy3 n TRP 264 Cb 1.12 -0.60 -0.12 0.00 -1.36 0.00 0.00 31.31 30.35 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 -3.06 3.59 -1.56 -2.67 5.04 0.91 -4.72 115.29 112.82 1xy3 s HIS 265 Ca -0.01 -2.61 -0.14 0.00 -1.54 0.00 0.00 55.06 50.77 1xy3 s HIS 265 Cb 0.02 -3.15 0.10 0.00 0.04 0.00 0.00 32.58 29.59 1xy3 s HIS 265 CO 0.05 -0.94 0.92 1.63 -2.34 0.00 0.00 174.74 174.06 1xy3 n LYS 266 N 4.33 -4.96 -3.51 2.88 5.02 -1.25 -1.96 118.16 118.70 1xy3 n LYS 266 Ca 0.01 0.55 -0.25 0.00 -2.02 0.00 0.00 58.31 56.59 1xy3 n LYS 266 Cb 0.41 -5.37 -0.00 0.00 -0.02 0.00 0.00 35.03 30.04 1xy3 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 267 N -1.63 -0.48 3.68 0.72 0.00 -0.44 -4.89 105.19 102.15 1xy3 n GLY 267 Ca 0.03 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -6.65 4.35 -0.37 0.99 2.96 -0.83 -4.82 118.68 114.31 1xy3 s LEU 268 Ca 0.46 2.37 -0.19 0.00 -0.22 0.00 0.00 54.13 56.55 1xy3 s LEU 268 Cb -0.24 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1xy3 s LEU 268 CO 0.57 -0.86 0.57 -1.10 -1.32 0.00 0.00 176.35 174.21 1xy3 s GLN 269 N 2.86 3.55 -0.00 1.98 -1.52 -1.26 -1.31 119.66 123.96 1xy3 s GLN 269 Ca 0.72 -0.16 0.01 0.00 -1.95 0.00 0.00 55.36 53.97 1xy3 s GLN 269 Cb -0.37 -3.84 0.01 0.00 -0.22 0.00 0.00 33.01 28.59 1xy3 s GLN 269 CO 0.31 -0.74 0.93 -1.71 -0.25 0.00 0.00 175.29 173.82 1xy3 n ASN 270 N 5.91 0.08 -4.60 5.90 5.15 -1.26 -4.70 115.26 121.73 1xy3 n ASN 270 Ca -0.03 -1.88 -0.25 0.00 -0.60 0.00 0.00 54.58 51.82 1xy3 n ASN 270 Cb 0.49 -0.18 -0.09 0.00 -0.53 0.00 0.00 39.78 39.47 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 -0.09 2.58 0.00 -0.44 -4.23 -1.26 -3.39 115.64 108.80 1xy3 s THR 271 Ca 0.01 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1xy3 s THR 271 Cb 0.01 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1xy3 s THR 271 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1xy3 n GLY 272 N -0.90 3.66 0.24 3.99 0.00 -1.26 -1.30 105.19 109.63 1xy3 n GLY 272 Ca -0.04 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1xy3 n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xy3 h LYS 273 N 0.00 0.00 -0.02 1.61 3.64 -1.99 -2.86 116.57 116.96 1xy3 h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xy3 h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xy3 h LYS 273 CO 0.00 0.20 -0.16 0.09 -2.27 0.00 0.00 179.45 177.31 1xy3 n ASN 274 N -3.70 1.73 -4.62 4.20 4.13 -0.42 -4.94 115.26 111.64 1xy3 n ASN 274 Ca -0.01 -1.41 -0.44 0.00 1.68 0.00 0.00 54.58 54.39 1xy3 n ASN 274 Cb 0.31 0.12 -0.04 0.00 -1.54 0.00 0.00 39.78 38.64 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 0.11 1.54 0.00 5.41 0.00 -1.08 -4.35 120.51 122.14 1xy3 n ALA 275 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1xy3 n ALA 275 Cb 0.42 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 7.99 0.00 -3.89 0.00 1.02 -1.26 -4.97 120.64 119.54 1xy3 n GLU 276 Ca 0.26 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.04 1xy3 n GLU 276 Cb 0.40 -0.91 -0.12 0.00 -0.02 0.00 0.00 31.44 30.79 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 -1.95 4.37 0.36 2.62 1.01 -1.26 -5.10 120.40 120.44 1xy3 s VAL 277 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 61.91 1xy3 s VAL 277 Cb 0.00 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 1xy3 s VAL 277 CO 0.00 0.38 -0.04 -0.36 0.00 0.00 0.00 175.10 175.08 1xy3 s PHE 278 N 1.20 2.46 -0.29 5.22 0.40 -1.26 -3.63 117.98 122.08 1xy3 s PHE 278 Ca 0.04 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1xy3 s PHE 278 Cb -0.14 -1.50 0.07 0.00 0.51 0.00 0.00 43.02 41.96 1xy3 s PHE 278 CO 0.03 0.52 -0.04 0.00 0.70 0.00 0.00 175.22 176.44 1xy3 s ALA 279 N -2.61 2.72 0.32 5.36 0.00 0.35 -4.93 121.76 122.97 1xy3 s ALA 279 Ca 0.34 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 49.97 1xy3 s ALA 279 Cb 0.03 -1.77 -0.11 0.00 0.00 0.00 0.00 23.12 21.27 1xy3 s ALA 279 CO 0.18 -1.38 1.56 -2.14 0.00 0.00 0.00 175.76 173.98 1xy3 s PRO 280 N 1.06 4.11 -0.21 0.00 0.02 -1.26 -1.40 135.00 137.33 1xy3 s PRO 280 Ca -0.02 2.58 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 1xy3 s PRO 280 Cb -0.20 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 1xy3 s PRO 280 CO -0.05 -0.60 0.04 -0.65 -0.33 0.00 0.00 177.00 175.40 1xy3 s GLN 281 N -1.06 3.75 0.25 5.54 -1.52 0.09 -4.91 119.66 121.80 1xy3 s GLN 281 Ca 0.60 -0.45 0.11 0.00 -1.95 0.00 0.00 55.36 53.67 1xy3 s GLN 281 Cb -0.47 -3.19 0.25 0.00 -0.22 0.00 0.00 33.01 29.38 1xy3 s GLN 281 CO 0.53 0.05 1.54 0.77 -0.25 0.00 0.00 175.29 177.94 1xy3 h SER 282 N 7.41 0.00 -4.51 5.90 0.02 -1.94 -3.39 113.55 117.04 1xy3 h SER 282 Ca -0.36 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1xy3 h SER 282 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.53 1xy3 h SER 282 CO 0.63 0.67 0.47 1.51 -1.14 0.00 0.00 176.83 178.96 1xy3 s ASP 283 N -6.73 -0.41 0.33 3.07 1.47 -1.26 -4.84 116.67 108.29 1xy3 s ASP 283 Ca -0.00 0.23 0.00 0.00 1.18 0.00 0.00 52.55 53.96 1xy3 s ASP 283 Cb 0.12 0.38 0.00 0.00 -0.34 0.00 0.00 42.92 43.08 1xy3 s ASP 283 CO 0.76 -0.53 0.00 -0.81 0.68 0.00 0.00 175.17 175.27 1xy3 n PRO 284 N 0.24 0.90 -3.68 2.11 -0.04 -1.26 -5.12 135.00 128.15 1xy3 n PRO 284 Ca -0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.22 1xy3 n PRO 284 Cb 0.60 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.59 0.54 3.54 4.22 -1.26 -4.70 114.94 115.69 1xy3 s ASN 285 Ca 0.00 1.13 -0.20 0.00 -2.14 0.00 0.00 52.86 51.65 1xy3 s ASN 285 Cb 0.00 1.15 -0.06 0.00 1.28 0.00 0.00 41.25 43.62 1xy3 s ASN 285 CO 0.00 -0.20 1.18 -0.83 -2.04 0.00 0.00 177.10 175.21 1xy3 s GLY 286 N 0.31 2.72 -0.12 0.45 0.00 -1.15 -4.79 107.32 104.74 1xy3 s GLY 286 Ca -0.00 0.94 -0.02 0.00 0.00 0.00 0.00 44.72 45.64 1xy3 s GLY 286 CO 0.01 1.34 0.00 -2.27 0.00 0.00 0.00 173.10 172.18 1xy3 s LEU 287 N -3.67 0.87 -0.16 0.66 2.96 -1.26 0.64 118.68 118.72 1xy3 s LEU 287 Ca 0.72 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1xy3 s LEU 287 Cb -0.28 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 45.87 1xy3 s LEU 287 CO 0.32 -0.23 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.33 1xy3 s ILE 288 N 1.90 2.52 0.34 6.68 1.09 -0.58 -4.99 121.20 128.16 1xy3 s ILE 288 Ca 0.03 -0.81 0.09 0.00 -1.10 0.00 0.00 60.65 58.85 1xy3 s ILE 288 Cb -0.14 -2.06 -0.05 0.00 -1.06 0.00 0.00 42.46 39.15 1xy3 s ILE 288 CO -0.07 0.52 0.04 -0.54 -0.10 0.00 0.00 174.94 174.79 1xy3 s LYS 289 N 0.95 2.15 -0.29 2.79 1.02 -1.26 -1.21 119.74 123.88 1xy3 s LYS 289 Ca -0.03 -1.70 -0.16 0.00 0.02 0.00 0.00 55.97 54.11 1xy3 s LYS 289 Cb -0.15 -1.99 0.16 0.00 -0.52 0.00 0.00 37.83 35.33 1xy3 s LYS 289 CO -0.03 0.14 1.02 0.00 -0.92 0.00 0.00 175.35 175.55 1xy3 s THR 291 N 1.41 2.13 -0.20 0.00 2.01 -1.26 -1.07 115.64 118.66 1xy3 s THR 291 Ca -0.08 -1.77 -0.09 0.00 0.31 0.00 0.00 61.69 60.06 1xy3 s THR 291 Cb -0.04 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 1xy3 s THR 291 CO -0.14 -0.17 0.10 -0.69 -0.69 0.00 0.00 174.62 173.03 1xy3 s VAL 292 N 1.08 5.10 0.41 3.82 1.01 -0.26 -4.94 120.40 126.62 1xy3 s VAL 292 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1xy3 s VAL 292 Cb -0.20 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1xy3 s VAL 292 CO -0.06 0.43 0.05 0.61 0.00 0.00 0.00 175.10 176.12 1xy3 n GLY 293 N 3.70 3.55 3.88 4.51 0.00 -1.26 -0.85 105.19 118.72 1xy3 n GLY 293 Ca -0.16 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.30 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 -3.49 3.77 0.00 1.61 0.52 -1.25 -5.03 118.95 115.08 1xy3 s ARG 294 Ca 0.06 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1xy3 s ARG 294 Cb 0.00 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.98 1xy3 s ARG 294 CO 0.05 0.10 0.47 0.43 0.02 0.00 0.00 175.30 176.37