#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi3 h LEU 3 N 0.00 0.01 -0.83 3.41 5.85 -2.01 -2.29 115.31 119.45 1xi3 h LEU 3 Ca 0.00 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1xi3 h LEU 3 Cb 0.00 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1xi3 h LEU 3 CO 0.00 0.00 0.52 -0.09 -0.34 0.00 0.00 178.44 178.53 1xi3 h ARG 4 N 0.27 0.93 -0.06 1.25 2.43 -1.98 -1.77 114.38 115.45 1xi3 h ARG 4 Ca 0.34 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.29 1xi3 h ARG 4 Cb 0.53 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1xi3 h ARG 4 CO -0.43 0.62 -0.69 -0.91 -1.51 0.00 0.00 179.97 177.04 1xi3 h ASN 5 N 0.96 0.33 0.56 -3.80 2.35 -1.88 -3.12 115.58 110.98 1xi3 h ASN 5 Ca 0.36 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1xi3 h ASN 5 Cb 0.14 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1xi3 h ASN 5 CO -0.16 0.92 0.00 0.29 -1.65 0.00 0.00 177.43 176.83 1xi3 n LYS 6 N -3.82 0.43 -0.06 0.81 4.01 -0.79 -3.15 118.16 115.59 1xi3 n LYS 6 Ca -0.03 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.87 1xi3 n LYS 6 Cb 0.68 -1.50 0.42 0.00 -0.51 0.00 0.00 35.03 34.12 1xi3 n LYS 6 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1xi3 n LEU 7 N -1.28 1.17 -0.19 -0.35 4.77 -0.74 -3.71 117.00 116.68 1xi3 n LEU 7 Ca 0.14 -0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 55.55 1xi3 n LEU 7 Cb 0.24 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1xi3 n LEU 7 CO 0.23 0.24 0.94 0.07 -1.33 0.00 0.00 177.39 177.54 1xi3 h LYS 8 N 1.56 0.82 -3.94 3.23 2.10 -1.65 -3.36 116.57 115.34 1xi3 h LYS 8 Ca 0.00 -0.17 -0.60 0.00 -2.00 0.00 0.00 60.65 57.88 1xi3 h LYS 8 Cb 0.34 -0.12 -0.40 0.00 -0.90 0.00 0.00 32.23 31.15 1xi3 h LYS 8 CO 0.00 0.75 -0.75 -1.17 -2.00 0.00 0.00 179.45 176.27 1xi3 s LEU 9 N -9.70 2.78 -0.34 7.07 2.96 -1.26 -1.66 118.68 118.53 1xi3 s LEU 9 Ca -0.13 -1.62 -0.06 0.00 -0.22 0.00 0.00 54.13 52.10 1xi3 s LEU 9 Cb 0.12 -1.07 0.04 0.00 0.50 0.00 0.00 46.19 45.78 1xi3 s LEU 9 CO 0.79 -0.37 0.10 -0.47 -1.32 0.00 0.00 176.35 175.08 1xi3 s TYR 10 N 1.44 3.25 -0.15 5.38 5.04 -0.29 -0.91 117.35 131.11 1xi3 s TYR 10 Ca 0.07 -1.40 -0.04 0.00 -2.44 0.00 0.00 57.07 53.25 1xi3 s TYR 10 Cb -0.18 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.82 1xi3 s TYR 10 CO -0.17 -0.72 -0.01 0.08 -1.34 0.00 0.00 175.55 173.38 1xi3 s VAL 11 N 1.41 4.13 -0.07 3.14 1.01 -0.36 -1.31 120.40 128.34 1xi3 s VAL 11 Ca -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1xi3 s VAL 11 Cb -0.19 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1xi3 s VAL 11 CO 0.03 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.86 1xi3 s ILE 12 N 0.16 2.99 0.71 2.22 1.01 -0.71 -1.09 121.20 126.49 1xi3 s ILE 12 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 1xi3 s ILE 12 Cb -0.13 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1xi3 s ILE 12 CO 0.02 0.57 1.09 0.42 0.00 0.00 0.00 174.94 177.04 1xi3 s THR 13 N -0.37 3.43 -0.34 2.92 -4.23 -0.33 -4.59 115.64 112.14 1xi3 s THR 13 Ca 0.04 0.55 0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1xi3 s THR 13 Cb -0.12 -3.08 0.18 0.00 1.34 0.00 0.00 72.50 70.82 1xi3 s THR 13 CO 0.02 -0.53 0.56 -0.62 -0.54 0.00 0.00 174.62 173.52 1xi3 s ASP 14 N -3.13 -1.12 0.19 3.99 -1.08 -1.26 -4.48 116.67 109.77 1xi3 s ASP 14 Ca 0.63 -0.37 0.16 0.00 -0.52 0.00 0.00 52.55 52.45 1xi3 s ASP 14 Cb -0.18 1.78 0.78 0.00 -1.46 0.00 0.00 42.92 43.84 1xi3 s ASP 14 CO 0.50 -0.26 1.50 -2.11 0.52 0.00 0.00 175.17 175.31 1xi3 n ARG 15 N 4.97 0.10 0.28 4.34 1.85 -1.22 -0.76 116.66 126.22 1xi3 n ARG 15 Ca 0.07 0.50 0.13 0.00 -1.00 0.00 0.00 57.85 57.55 1xi3 n ARG 15 Cb 0.54 -1.77 0.80 0.00 -1.05 0.00 0.00 32.46 30.98 1xi3 n ARG 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xi3 h ARG 16 N 0.00 0.00 0.00 2.89 3.08 -1.97 -3.34 114.38 115.05 1xi3 h ARG 16 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1xi3 h ARG 16 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1xi3 h ARG 16 CO 0.00 0.07 -2.07 1.28 -1.07 0.00 0.00 179.97 178.17 1xi3 n LEU 17 N -3.81 1.74 -3.71 3.04 4.77 0.06 -5.08 117.00 114.01 1xi3 n LEU 17 Ca -0.02 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 1xi3 n LEU 17 Cb 0.16 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1xi3 n LEU 17 CO 0.29 0.50 0.12 -0.54 -1.33 0.00 0.00 177.39 176.43 1xi3 s LYS 18 N -2.36 0.66 0.64 3.23 3.01 -0.55 -4.95 119.74 119.43 1xi3 s LYS 18 Ca -0.26 0.17 -0.17 0.00 -1.01 0.00 0.00 55.97 54.70 1xi3 s LYS 18 Cb 0.09 0.31 -0.01 0.00 -1.01 0.00 0.00 37.83 37.21 1xi3 s LYS 18 CO 0.36 -0.16 1.17 -2.14 0.51 0.00 0.00 175.35 175.09 1xi3 s PRO 19 N -0.72 2.77 0.02 -1.68 0.02 -1.26 -3.39 135.00 130.76 1xi3 s PRO 19 Ca -0.08 1.65 -0.22 0.00 0.02 0.00 0.00 61.00 62.36 1xi3 s PRO 19 Cb -0.04 -1.92 -0.17 0.00 0.02 0.00 0.00 34.50 32.39 1xi3 s PRO 19 CO 0.04 -1.32 1.31 0.93 -0.33 0.00 0.00 177.00 177.63 1xi3 h GLU 20 N 0.39 0.23 -0.15 5.54 3.07 -1.95 -2.43 114.58 119.29 1xi3 h GLU 20 Ca -0.49 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.23 1xi3 h GLU 20 Cb 1.28 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1xi3 h GLU 20 CO 0.54 0.66 -0.01 0.28 -1.40 0.00 0.00 179.01 179.07 1xi3 h VAL 21 N -0.19 1.27 -0.30 3.13 2.07 -1.95 0.52 116.25 120.79 1xi3 h VAL 21 Ca 0.01 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1xi3 h VAL 21 Cb 0.62 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1xi3 h VAL 21 CO 0.02 0.26 0.18 -0.33 0.02 0.00 0.00 177.57 177.73 1xi3 h GLU 22 N -0.01 0.36 -0.16 1.57 3.07 -1.97 -2.43 114.58 115.01 1xi3 h GLU 22 Ca 0.04 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.69 1xi3 h GLU 22 Cb 0.41 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1xi3 h GLU 22 CO 0.01 0.24 -0.67 0.66 -1.40 0.00 0.00 179.01 177.85 1xi3 h SER 23 N 0.37 0.75 -0.68 1.42 4.64 -1.29 -2.98 113.55 115.78 1xi3 h SER 23 Ca 0.11 -0.45 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 1xi3 h SER 23 Cb -0.02 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1xi3 h SER 23 CO -0.04 1.22 0.17 0.58 -0.87 0.00 0.00 176.83 177.89 1xi3 h VAL 24 N 0.46 1.26 -0.20 0.95 2.07 -0.88 -0.16 116.25 119.75 1xi3 h VAL 24 Ca -0.02 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1xi3 h VAL 24 Cb 1.26 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1xi3 h VAL 24 CO 0.13 0.36 -0.11 -0.09 0.02 0.00 0.00 177.57 177.88 1xi3 h ARG 25 N 1.01 -0.09 -0.63 1.57 2.43 -1.37 0.52 114.38 117.82 1xi3 h ARG 25 Ca 0.21 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1xi3 h ARG 25 Cb 0.36 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1xi3 h ARG 25 CO 0.00 -0.06 0.39 0.93 -1.51 0.00 0.00 179.97 179.72 1xi3 h GLU 26 N -0.09 0.86 -0.65 0.20 4.39 -1.35 -0.14 114.58 117.79 1xi3 h GLU 26 Ca 0.11 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1xi3 h GLU 26 Cb 0.26 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1xi3 h GLU 26 CO -0.26 0.60 0.16 0.00 -1.16 0.00 0.00 179.01 178.35 1xi3 h ALA 27 N 1.20 0.86 -0.30 3.43 0.00 -0.64 -0.24 119.26 123.57 1xi3 h ALA 27 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xi3 h ALA 27 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xi3 h ALA 27 CO -0.04 0.57 0.12 -0.07 0.00 0.00 0.00 179.25 179.83 1xi3 h LEU 28 N 0.97 0.43 -1.24 0.00 3.38 -0.70 -1.29 115.31 116.85 1xi3 h LEU 28 Ca 0.21 -0.17 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1xi3 h LEU 28 Cb 0.36 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1xi3 h LEU 28 CO 0.00 0.48 0.60 -0.33 0.09 0.00 0.00 178.44 179.28 1xi3 h GLU 29 N 0.34 0.67 0.00 1.13 4.39 -0.77 -1.64 114.58 118.70 1xi3 h GLU 29 Ca 0.10 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1xi3 h GLU 29 Cb 0.20 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1xi3 h GLU 29 CO -0.01 0.44 0.00 0.41 -1.16 0.00 0.00 179.01 178.70 1xi3 n GLY 30 N -1.42 -1.36 0.00 -3.84 0.00 -0.12 -4.91 105.19 93.54 1xi3 n GLY 30 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xi3 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi3 n GLY 31 N 1.21 1.35 3.70 -0.02 0.00 -0.61 -2.51 105.19 108.30 1xi3 n GLY 31 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1xi3 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi3 n ALA 32 N -1.05 1.47 0.18 4.61 0.00 -0.56 -4.88 120.51 120.29 1xi3 n ALA 32 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.91 1xi3 n ALA 32 Cb 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.01 1xi3 n ALA 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xi3 n THR 33 N 0.96 0.00 -3.83 0.00 -2.24 -0.09 -4.77 114.28 104.31 1xi3 n THR 33 Ca 0.07 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1xi3 n THR 33 Cb 0.35 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.70 1xi3 n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xi3 s ALA 34 N -3.30 -0.45 -0.03 6.98 0.00 -1.05 -1.80 121.76 122.11 1xi3 s ALA 34 Ca -0.04 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1xi3 s ALA 34 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1xi3 s ALA 34 CO 0.84 -0.15 -0.16 0.42 0.00 0.00 0.00 175.76 176.70 1xi3 s ILE 35 N -0.61 1.35 -0.15 0.00 -1.09 0.04 -1.23 121.20 119.51 1xi3 s ILE 35 Ca -0.07 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1xi3 s ILE 35 Cb -0.04 -1.15 0.01 0.00 -1.58 0.00 0.00 42.46 39.70 1xi3 s ILE 35 CO 0.01 0.39 -0.21 -1.58 -1.23 0.00 0.00 174.94 172.32 1xi3 s GLN 36 N -0.09 3.03 -0.31 2.79 0.74 -0.25 -0.45 119.66 125.12 1xi3 s GLN 36 Ca -0.00 -0.84 -0.27 0.00 0.05 0.00 0.00 55.36 54.30 1xi3 s GLN 36 Cb -0.10 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.52 1xi3 s GLN 36 CO 0.01 -0.07 0.96 1.41 -0.55 0.00 0.00 175.29 177.05 1xi3 s MET 37 N 0.97 4.02 -0.32 1.67 -2.45 -0.04 -1.18 119.30 121.97 1xi3 s MET 37 Ca -0.03 0.88 0.00 0.00 -1.25 0.00 0.00 55.69 55.29 1xi3 s MET 37 Cb -0.15 -3.73 0.10 0.00 1.25 0.00 0.00 34.83 32.30 1xi3 s MET 37 CO -0.05 -0.81 0.09 0.50 1.05 0.00 0.00 175.02 175.80 1xi3 s ARG 38 N 3.36 0.89 -0.15 4.11 3.52 -1.26 -1.30 118.95 128.11 1xi3 s ARG 38 Ca 0.40 -1.27 0.02 0.00 -0.13 0.00 0.00 55.73 54.75 1xi3 s ARG 38 Cb -0.13 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 31.00 1xi3 s ARG 38 CO 0.14 -0.98 -0.20 0.42 -0.81 0.00 0.00 175.30 173.87 1xi3 s ILE 39 N 1.44 1.99 -0.12 4.11 1.01 -1.26 -4.62 121.20 123.76 1xi3 s ILE 39 Ca 0.10 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 1xi3 s ILE 39 Cb -0.18 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1xi3 s ILE 39 CO -0.21 0.53 0.17 -1.59 0.00 0.00 0.00 174.94 173.85 1xi3 s LYS 40 N 1.03 3.61 -1.22 2.79 0.00 -1.26 -4.73 119.74 119.96 1xi3 s LYS 40 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 55.97 55.87 1xi3 s LYS 40 Cb -0.14 -3.23 0.00 0.00 0.00 0.00 0.00 37.83 34.46 1xi3 s LYS 40 CO -0.06 0.70 0.96 0.09 0.00 0.00 0.00 175.35 177.03 1xi3 n ASN 41 N 2.20 -2.06 -4.28 0.03 4.13 -1.26 -5.03 115.26 108.99 1xi3 n ASN 41 Ca -0.19 -0.65 -0.21 0.00 1.68 0.00 0.00 54.58 55.21 1xi3 n ASN 41 Cb 0.54 -4.95 -0.12 0.00 -1.54 0.00 0.00 39.78 33.72 1xi3 n ASN 41 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xi3 s ALA 42 N -3.41 1.72 0.63 5.41 0.00 -1.26 -5.14 121.76 119.72 1xi3 s ALA 42 Ca 0.02 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.48 1xi3 s ALA 42 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1xi3 s ALA 42 CO 0.74 0.23 1.27 -1.25 0.00 0.00 0.00 175.76 176.75 1xi3 s PRO 43 N -2.41 2.66 0.37 0.00 0.04 -1.26 -4.80 135.00 129.59 1xi3 s PRO 43 Ca 0.09 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.22 1xi3 s PRO 43 Cb -0.07 -1.87 0.80 0.00 0.04 0.00 0.00 34.50 33.41 1xi3 s PRO 43 CO 0.04 -1.50 1.94 1.15 0.04 0.00 0.00 177.00 178.67 1xi3 h THR 44 N 0.63 0.95 -0.65 1.26 2.02 -2.01 -1.73 112.91 113.39 1xi3 h THR 44 Ca -0.51 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.47 1xi3 h THR 44 Cb 1.33 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1xi3 h THR 44 CO 0.54 0.13 0.40 -0.09 0.37 0.00 0.00 175.52 176.86 1xi3 h ARG 45 N 0.69 0.76 -0.23 6.66 2.43 -1.99 -0.27 114.38 122.43 1xi3 h ARG 45 Ca 0.34 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1xi3 h ARG 45 Cb 0.43 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1xi3 h ARG 45 CO -0.13 0.50 -0.01 1.49 -1.51 0.00 0.00 179.97 180.31 1xi3 h GLU 46 N 0.78 0.41 -0.95 0.20 4.81 -1.70 -0.47 114.58 117.67 1xi3 h GLU 46 Ca 0.27 -0.14 0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1xi3 h GLU 46 Cb 0.03 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 1xi3 h GLU 46 CO -0.11 0.61 0.58 0.52 -0.73 0.00 0.00 179.01 179.88 1xi3 h MET 47 N 0.17 0.91 -0.12 1.92 2.86 -1.01 -0.70 114.93 118.95 1xi3 h MET 47 Ca 0.06 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1xi3 h MET 47 Cb 0.43 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1xi3 h MET 47 CO 0.01 0.60 -0.01 -0.92 1.06 0.00 0.00 176.91 177.66 1xi3 h TYR 48 N 0.93 0.25 -0.40 -0.22 5.03 -0.77 0.46 116.97 122.26 1xi3 h TYR 48 Ca 0.46 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.70 1xi3 h TYR 48 Cb 0.44 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1xi3 h TYR 48 CO -0.02 0.48 0.16 0.93 -1.32 0.00 0.00 178.16 178.39 1xi3 h GLU 49 N -0.06 0.59 -0.59 1.82 5.08 -0.66 -0.52 114.58 120.25 1xi3 h GLU 49 Ca 0.03 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1xi3 h GLU 49 Cb 0.39 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1xi3 h GLU 49 CO 0.01 0.56 0.13 0.82 -1.00 0.00 0.00 179.01 179.53 1xi3 h ILE 50 N 0.50 1.25 -0.97 3.13 2.04 -1.16 -2.82 117.51 119.48 1xi3 h ILE 50 Ca 0.13 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1xi3 h ILE 50 Cb 0.19 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1xi3 h ILE 50 CO -0.01 0.34 0.64 1.23 0.00 0.00 0.00 178.15 180.35 1xi3 h GLY 51 N 0.86 1.39 0.97 5.37 0.00 -0.54 0.02 103.07 111.14 1xi3 h GLY 51 Ca 0.18 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1xi3 h GLY 51 CO 0.00 0.47 0.22 0.50 0.00 0.00 0.00 176.54 177.73 1xi3 h LYS 52 N 1.29 0.69 -0.23 4.80 1.79 -0.96 0.12 116.57 124.07 1xi3 h LYS 52 Ca 0.37 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 1xi3 h LYS 52 Cb -0.09 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.43 1xi3 h LYS 52 CO -0.10 0.59 0.11 1.15 -1.08 0.00 0.00 179.45 180.12 1xi3 h THR 53 N 0.62 1.14 -0.06 -0.16 2.02 -1.17 -2.02 112.91 113.29 1xi3 h THR 53 Ca 0.16 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1xi3 h THR 53 Cb 0.14 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1xi3 h THR 53 CO -0.02 0.14 -0.26 -0.07 0.37 0.00 0.00 175.52 175.69 1xi3 h LEU 54 N 0.23 0.09 -0.39 2.58 3.38 -0.87 -1.35 115.31 118.99 1xi3 h LEU 54 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xi3 h LEU 54 Cb 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xi3 h LEU 54 CO -0.01 0.36 0.21 -0.09 0.09 0.00 0.00 178.44 179.00 1xi3 h ARG 55 N 0.09 0.54 -0.18 1.13 9.65 -0.50 -0.33 114.38 124.78 1xi3 h ARG 55 Ca 0.01 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1xi3 h ARG 55 Cb 0.51 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1xi3 h ARG 55 CO 0.04 0.44 0.08 0.37 2.80 0.00 0.00 179.97 183.69 1xi3 h GLN 56 N 0.50 0.27 -0.04 0.20 4.15 -0.92 -2.35 115.11 116.92 1xi3 h GLN 56 Ca 0.14 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1xi3 h GLN 56 Cb 0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1xi3 h GLN 56 CO -0.02 0.33 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.12 1xi3 h LEU 57 N 0.14 -0.05 -0.70 -2.39 3.38 -1.15 -1.75 115.31 112.79 1xi3 h LEU 57 Ca 0.06 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1xi3 h LEU 57 Cb 0.16 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1xi3 h LEU 57 CO -0.01 -0.02 0.42 0.71 0.09 0.00 0.00 178.44 179.63 1xi3 h THR 58 N -0.01 1.04 -0.65 0.22 1.35 -1.05 -1.81 112.91 111.99 1xi3 h THR 58 Ca 0.02 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1xi3 h THR 58 Cb 0.04 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.60 1xi3 h THR 58 CO -0.04 0.14 0.41 0.03 -0.25 0.00 0.00 175.52 175.81 1xi3 h ARG 59 N 0.79 0.87 -0.08 4.72 3.08 -1.02 -0.21 114.38 122.53 1xi3 h ARG 59 Ca 0.30 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1xi3 h ARG 59 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1xi3 h ARG 59 CO -0.14 0.59 -0.09 1.49 -1.07 0.00 0.00 179.97 180.75 1xi3 h GLU 60 N 0.89 0.12 -0.59 0.04 4.81 -0.46 -2.22 114.58 117.17 1xi3 h GLU 60 Ca 0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1xi3 h GLU 60 Cb -0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1xi3 h GLU 60 CO -0.05 0.22 0.00 0.66 -0.73 0.00 0.00 179.01 179.12 1xi3 n TYR 61 N -4.36 0.78 -3.61 0.92 4.02 -0.75 -4.97 117.16 109.19 1xi3 n TYR 61 Ca -0.02 -0.48 -0.26 0.00 -0.01 0.00 0.00 57.90 57.13 1xi3 n TYR 61 Cb 0.20 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.56 1xi3 n TYR 61 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1xi3 n ASP 62 N 1.27 -5.43 -4.79 7.72 8.00 -0.41 -4.98 116.55 117.93 1xi3 n ASP 62 Ca 0.20 -0.58 -0.31 0.00 0.71 0.00 0.00 54.79 54.81 1xi3 n ASP 62 Cb 0.56 -4.33 -0.06 0.00 -0.02 0.00 0.00 41.12 37.26 1xi3 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xi3 s ALA 63 N -3.25 3.61 0.49 2.24 0.00 -0.23 -5.01 121.76 119.62 1xi3 s ALA 63 Ca 0.56 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 51.34 1xi3 s ALA 63 Cb -0.27 -1.50 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 1xi3 s ALA 63 CO 0.69 0.75 1.10 -0.51 0.00 0.00 0.00 175.76 177.79 1xi3 s LEU 64 N -2.29 3.87 -0.11 0.00 1.43 -0.74 -4.35 118.68 116.49 1xi3 s LEU 64 Ca 0.29 2.11 -0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1xi3 s LEU 64 Cb -0.12 -4.47 0.02 0.00 0.03 0.00 0.00 46.19 41.65 1xi3 s LEU 64 CO 0.21 -0.94 -0.08 0.12 0.23 0.00 0.00 176.35 175.89 1xi3 s PHE 65 N -1.78 1.50 0.14 0.29 5.36 -1.26 -0.78 117.98 121.45 1xi3 s PHE 65 Ca 0.68 -0.73 0.11 0.00 -0.96 0.00 0.00 56.93 56.02 1xi3 s PHE 65 Cb -0.22 -1.23 -0.04 0.00 -0.34 0.00 0.00 43.02 41.19 1xi3 s PHE 65 CO 0.26 -0.50 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.20 1xi3 s PHE 66 N 1.60 2.28 -0.11 10.12 0.08 0.41 -0.43 117.98 131.93 1xi3 s PHE 66 Ca 0.03 -0.38 -0.00 0.00 0.12 0.00 0.00 56.93 56.70 1xi3 s PHE 66 Cb -0.13 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1xi3 s PHE 66 CO -0.07 0.36 -0.10 0.08 -0.10 0.00 0.00 175.22 175.39 1xi3 s VAL 67 N -1.18 3.33 0.03 -0.44 1.01 -0.74 -0.86 120.40 121.55 1xi3 s VAL 67 Ca 0.15 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1xi3 s VAL 67 Cb -0.10 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1xi3 s VAL 67 CO 0.07 0.54 1.25 -0.62 0.00 0.00 0.00 175.10 176.34 1xi3 s ASP 68 N -0.04 7.01 0.00 3.32 3.68 -0.42 -1.27 116.67 128.95 1xi3 s ASP 68 Ca -0.02 2.01 0.00 0.00 2.13 0.00 0.00 52.55 56.68 1xi3 s ASP 68 Cb -0.14 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.76 1xi3 s ASP 68 CO 0.03 -0.56 0.00 -0.67 0.13 0.00 0.00 175.17 174.11 1xi3 n ASP 69 N 4.47 0.00 -4.55 -0.34 4.64 0.94 -4.84 116.55 116.87 1xi3 n ASP 69 Ca 0.10 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.11 1xi3 n ASP 69 Cb 0.45 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.50 1xi3 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1xi3 s ARG 70 N 0.00 3.19 0.30 -0.67 1.81 -1.26 -4.75 118.95 117.57 1xi3 s ARG 70 Ca 0.00 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.75 1xi3 s ARG 70 Cb 0.00 -4.38 0.49 0.00 -0.45 0.00 0.00 34.95 30.61 1xi3 s ARG 70 CO 0.00 -2.22 1.77 0.28 -0.68 0.00 0.00 175.30 174.45 1xi3 h VAL 71 N 6.23 1.25 -0.13 3.52 2.07 -1.91 -1.62 116.25 125.65 1xi3 h VAL 71 Ca -0.20 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1xi3 h VAL 71 Cb 1.05 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1xi3 h VAL 71 CO 1.30 0.36 0.09 -2.24 0.02 0.00 0.00 177.57 177.09 1xi3 h ASP 72 N 0.41 0.15 -0.28 0.57 2.03 -1.99 0.68 116.42 117.99 1xi3 h ASP 72 Ca 0.07 -0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.34 1xi3 h ASP 72 Cb 0.57 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 1xi3 h ASP 72 CO 0.04 0.11 0.09 0.58 -1.03 0.00 0.00 179.24 179.04 1xi3 h VAL 73 N 0.18 1.19 -0.52 4.15 2.07 -1.92 -0.37 116.25 121.03 1xi3 h VAL 73 Ca 0.05 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1xi3 h VAL 73 Cb -0.02 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1xi3 h VAL 73 CO -0.01 0.20 0.18 0.00 0.02 0.00 0.00 177.57 177.96 1xi3 h ALA 74 N 0.93 0.64 -0.28 1.67 0.00 -1.11 -0.95 119.26 120.16 1xi3 h ALA 74 Ca 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1xi3 h ALA 74 Cb 0.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xi3 h ALA 74 CO -0.00 -0.22 0.00 -0.07 0.00 0.00 0.00 179.25 178.96 1xi3 h LEU 75 N 0.35 0.49 -1.18 0.00 3.38 -0.63 -1.01 115.31 116.71 1xi3 h LEU 75 Ca 0.25 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1xi3 h LEU 75 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1xi3 h LEU 75 CO -0.27 0.67 0.06 0.00 0.09 0.00 0.00 178.44 178.99 1xi3 h ALA 76 N 0.83 1.33 -0.39 1.53 0.00 -0.51 -2.50 119.26 119.55 1xi3 h ALA 76 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xi3 h ALA 76 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xi3 h ALA 76 CO 0.01 0.47 0.00 1.33 0.00 0.00 0.00 179.25 181.06 1xi3 n VAL 77 N -4.29 0.51 -3.78 0.00 0.24 -0.41 -4.96 118.33 105.64 1xi3 n VAL 77 Ca 0.02 -0.69 -0.26 0.00 -2.04 0.00 0.00 64.34 61.37 1xi3 n VAL 77 Cb 0.23 0.78 0.04 0.00 -1.47 0.00 0.00 33.84 33.42 1xi3 n VAL 77 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xi3 n ASP 78 N 1.27 -4.01 -4.71 -1.34 4.64 -0.86 -4.84 116.55 106.71 1xi3 n ASP 78 Ca 0.19 -0.74 -0.32 0.00 -1.38 0.00 0.00 54.79 52.54 1xi3 n ASP 78 Cb 0.55 -4.21 0.12 0.00 -1.04 0.00 0.00 41.12 36.54 1xi3 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xi3 s ALA 79 N -3.40 1.87 0.33 -1.67 0.00 -0.44 -4.92 121.76 113.53 1xi3 s ALA 79 Ca 0.44 0.58 0.10 0.00 0.00 0.00 0.00 51.96 53.09 1xi3 s ALA 79 Cb -0.22 -3.41 0.58 0.00 0.00 0.00 0.00 23.12 20.08 1xi3 s ALA 79 CO 0.80 -2.23 1.76 -0.44 0.00 0.00 0.00 175.76 175.65 1xi3 h ASP 80 N -1.21 0.08 -1.84 0.00 3.32 -1.08 -3.47 116.42 112.22 1xi3 h ASP 80 Ca -0.44 -0.03 0.09 0.00 0.02 0.00 0.00 57.03 56.66 1xi3 h ASP 80 Cb 1.26 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1xi3 h ASP 80 CO 0.46 0.49 0.35 0.61 -1.72 0.00 0.00 179.24 179.44 1xi3 n GLY 81 N -0.27 0.91 2.99 2.75 0.00 -1.03 -1.18 105.19 109.36 1xi3 n GLY 81 Ca -0.02 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 1xi3 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi3 s VAL 82 N -2.27 0.43 -0.18 1.61 0.11 -0.34 -1.80 120.40 117.96 1xi3 s VAL 82 Ca 0.14 -0.56 -0.09 0.00 -2.93 0.00 0.00 61.98 58.54 1xi3 s VAL 82 Cb -0.02 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 1xi3 s VAL 82 CO 0.04 -0.10 0.12 -1.58 -3.33 0.00 0.00 175.10 170.25 1xi3 s GLN 83 N -0.71 4.02 -0.07 1.54 2.00 -0.40 -1.08 119.66 124.97 1xi3 s GLN 83 Ca -0.03 -0.23 0.02 0.00 -2.00 0.00 0.00 55.36 53.12 1xi3 s GLN 83 Cb -0.05 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.43 1xi3 s GLN 83 CO 0.00 0.37 -0.13 -0.51 -0.50 0.00 0.00 175.29 174.52 1xi3 s LEU 84 N 0.14 1.69 0.00 3.68 1.43 0.75 -0.04 118.68 126.33 1xi3 s LEU 84 Ca 0.08 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1xi3 s LEU 84 Cb -0.11 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.24 1xi3 s LEU 84 CO -0.01 0.04 0.19 0.61 0.23 0.00 0.00 176.35 177.42 1xi3 n GLY 85 N 3.81 3.19 0.34 -3.19 0.00 -1.26 -0.78 105.19 107.29 1xi3 n GLY 85 Ca -0.22 -2.31 0.17 0.00 0.00 0.00 0.00 46.02 43.66 1xi3 n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xi3 h PRO 86 N 0.00 0.00 -0.50 1.61 0.11 -1.97 -0.89 132.00 130.36 1xi3 h PRO 86 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1xi3 h PRO 86 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xi3 h PRO 86 CO 0.52 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 1xi3 n GLU 87 N -4.01 2.28 -3.20 1.05 4.71 -1.26 -4.98 120.64 115.24 1xi3 n GLU 87 Ca 0.03 -1.97 -0.20 0.00 -0.01 0.00 0.00 57.16 55.01 1xi3 n GLU 87 Cb 0.38 -1.44 0.01 0.00 -1.01 0.00 0.00 31.44 29.38 1xi3 n GLU 87 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xi3 n ASP 88 N 1.12 2.26 -4.67 1.62 10.43 -0.34 -5.06 116.55 121.90 1xi3 n ASP 88 Ca 0.19 -2.45 -0.45 0.00 2.57 0.00 0.00 54.79 54.66 1xi3 n ASP 88 Cb 0.48 -0.09 -0.02 0.00 1.84 0.00 0.00 41.12 43.32 1xi3 n ASP 88 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 1xi3 n MET 89 N -1.61 2.04 -1.72 -1.24 0.00 -1.26 -4.91 117.12 108.42 1xi3 n MET 89 Ca 0.01 0.72 -0.40 0.00 -0.00 0.00 0.00 57.70 58.04 1xi3 n MET 89 Cb 0.49 -2.37 0.02 0.00 0.00 0.00 0.00 33.22 31.36 1xi3 n MET 89 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1xi3 n PRO 90 N 1.92 1.84 -0.18 2.12 -0.02 -1.26 -4.77 135.00 134.64 1xi3 n PRO 90 Ca 0.11 0.66 -0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1xi3 n PRO 90 Cb 0.32 -2.46 0.09 0.00 -0.02 0.00 0.00 33.50 31.43 1xi3 n PRO 90 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1xi3 h ILE 91 N 1.82 0.67 -0.15 4.25 2.04 -1.94 -0.44 117.51 123.76 1xi3 h ILE 91 Ca -0.49 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1xi3 h ILE 91 Cb 1.30 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1xi3 h ILE 91 CO 0.59 0.05 -0.17 1.05 0.00 0.00 0.00 178.15 179.66 1xi3 h GLU 92 N 0.25 0.24 -0.04 2.37 9.09 -1.90 -1.13 114.58 123.46 1xi3 h GLU 92 Ca 0.29 -0.06 -0.14 0.00 0.05 0.00 0.00 59.36 59.50 1xi3 h GLU 92 Cb 0.42 -0.03 0.01 0.00 -1.65 0.00 0.00 28.75 27.50 1xi3 h GLU 92 CO -0.37 0.42 -0.52 0.28 0.05 0.00 0.00 179.01 178.86 1xi3 h VAL 93 N 0.23 1.41 -0.74 -1.06 2.07 -1.65 -2.43 116.25 114.07 1xi3 h VAL 93 Ca 0.04 -1.94 0.08 0.00 0.82 0.00 0.00 66.70 65.70 1xi3 h VAL 93 Cb 0.44 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 1xi3 h VAL 93 CO 0.03 0.57 0.42 0.00 0.02 0.00 0.00 177.57 178.60 1xi3 h ALA 94 N 0.38 1.03 -0.38 1.67 0.00 -0.74 -1.87 119.26 119.35 1xi3 h ALA 94 Ca -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1xi3 h ALA 94 Cb 1.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1xi3 h ALA 94 CO 0.10 0.07 0.02 0.87 0.00 0.00 0.00 179.25 180.32 1xi3 h LYS 95 N 0.74 0.59 -0.26 0.00 1.57 -1.18 0.30 116.57 118.32 1xi3 h LYS 95 Ca 0.35 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1xi3 h LYS 95 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1xi3 h LYS 95 CO -0.22 0.60 -0.03 1.49 -0.57 0.00 0.00 179.45 180.73 1xi3 h GLU 96 N 0.57 0.48 0.00 3.15 4.57 -0.90 -2.80 114.58 119.66 1xi3 h GLU 96 Ca 0.12 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1xi3 h GLU 96 Cb 0.33 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1xi3 h GLU 96 CO 0.01 0.67 -0.38 -0.84 -1.18 0.00 0.00 179.01 177.29 1xi3 h ILE 97 N 0.25 0.00 -1.82 2.32 3.07 -1.16 -3.39 117.51 116.79 1xi3 h ILE 97 Ca 0.07 -0.67 -0.51 0.00 1.55 0.00 0.00 64.86 65.30 1xi3 h ILE 97 Cb 0.47 1.45 -0.37 0.00 -0.27 0.00 0.00 36.82 38.10 1xi3 h ILE 97 CO 0.02 0.00 -1.08 0.00 -1.05 0.00 0.00 178.15 176.04 1xi3 n ALA 98 N -1.93 1.97 0.30 0.16 0.00 0.08 -4.99 120.51 116.10 1xi3 n ALA 98 Ca 0.04 -3.22 0.14 0.00 0.00 0.00 0.00 53.44 50.40 1xi3 n ALA 98 Cb 0.47 -0.89 0.66 0.00 0.00 0.00 0.00 19.45 19.69 1xi3 n ALA 98 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xi3 h PRO 99 N 3.67 0.00 -0.01 0.00 0.13 -1.70 -2.70 132.00 131.40 1xi3 h PRO 99 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1xi3 h PRO 99 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1xi3 h PRO 99 CO 0.45 0.00 -0.44 0.09 -0.23 0.00 0.00 178.00 177.87 1xi3 n ASN 100 N -2.53 1.26 -4.76 1.44 3.02 -1.26 -4.95 115.26 107.48 1xi3 n ASN 100 Ca 0.00 -1.01 -0.39 0.00 -0.03 0.00 0.00 54.58 53.15 1xi3 n ASN 100 Cb 0.17 0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 39.64 1xi3 n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xi3 s LEU 101 N -2.62 4.51 0.14 3.41 1.43 -1.02 -4.96 118.68 119.57 1xi3 s LEU 101 Ca 0.19 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 1xi3 s LEU 101 Cb 0.18 -3.76 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 1xi3 s LEU 101 CO 0.60 -0.01 1.18 -0.63 0.23 0.00 0.00 176.35 177.72 1xi3 s ILE 102 N -1.32 3.80 -0.27 -0.59 1.01 -0.33 -4.92 121.20 118.57 1xi3 s ILE 102 Ca 0.45 1.43 -0.07 0.00 0.00 0.00 0.00 60.65 62.46 1xi3 s ILE 102 Cb -0.25 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1xi3 s ILE 102 CO 0.31 0.19 0.08 -0.63 0.00 0.00 0.00 174.94 174.89 1xi3 s ILE 103 N 0.33 4.20 -0.07 2.92 -1.09 -1.26 -1.20 121.20 125.03 1xi3 s ILE 103 Ca 0.54 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1xi3 s ILE 103 Cb -0.31 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1xi3 s ILE 103 CO 0.33 0.22 0.18 -0.83 -1.23 0.00 0.00 174.94 173.62 1xi3 s GLY 104 N 1.57 2.20 -0.13 6.18 0.00 -0.24 -0.02 107.32 116.87 1xi3 s GLY 104 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.14 1xi3 s GLY 104 CO 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 173.10 172.55 1xi3 s ALA 105 N -1.14 2.45 -0.27 3.20 0.00 -0.54 -0.17 121.76 125.29 1xi3 s ALA 105 Ca 0.20 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1xi3 s ALA 105 Cb -0.13 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 1xi3 s ALA 105 CO 0.10 0.16 0.83 -1.12 0.00 0.00 0.00 175.76 175.73 1xi3 s SER 106 N 0.52 6.78 0.02 0.00 0.01 0.04 -0.30 113.70 120.77 1xi3 s SER 106 Ca -0.11 0.91 0.04 0.00 1.31 0.00 0.00 55.95 58.10 1xi3 s SER 106 Cb -0.16 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1xi3 s SER 106 CO 0.04 -0.58 -0.13 0.68 0.41 0.00 0.00 173.24 173.67 1xi3 s VAL 107 N 2.94 1.03 -0.06 3.43 -7.23 -0.43 -4.53 120.40 115.56 1xi3 s VAL 107 Ca 0.35 -0.82 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1xi3 s VAL 107 Cb -0.15 -0.91 0.13 0.00 0.56 0.00 0.00 36.38 36.01 1xi3 s VAL 107 CO 0.10 0.09 1.03 -1.22 -0.31 0.00 0.00 175.10 174.79 1xi3 n TYR 108 N 2.22 0.00 -3.54 2.82 4.01 -1.26 -2.23 117.16 119.18 1xi3 n TYR 108 Ca -0.17 -0.49 -0.08 0.00 -0.16 0.00 0.00 57.90 57.01 1xi3 n TYR 108 Cb 0.55 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 1xi3 n TYR 108 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1xi3 s SER 109 N -1.77 -0.33 0.17 7.72 1.04 -1.26 -4.79 113.70 114.48 1xi3 s SER 109 Ca 0.14 -0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.39 1xi3 s SER 109 Cb 0.13 0.38 0.11 0.00 0.10 0.00 0.00 66.02 66.73 1xi3 s SER 109 CO 0.01 -0.62 1.76 0.25 0.98 0.00 0.00 173.24 175.63 1xi3 h LEU 110 N 2.00 0.21 -0.55 2.42 5.85 -1.97 -0.55 115.31 122.72 1xi3 h LEU 110 Ca -0.22 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1xi3 h LEU 110 Cb 1.24 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1xi3 h LEU 110 CO 0.30 0.16 0.27 -0.08 -0.34 0.00 0.00 178.44 178.75 1xi3 h GLU 111 N 0.36 0.50 -0.66 1.25 4.57 -1.99 -0.71 114.58 117.90 1xi3 h GLU 111 Ca 0.20 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1xi3 h GLU 111 Cb 0.16 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1xi3 h GLU 111 CO -0.18 0.33 0.33 0.93 -1.18 0.00 0.00 179.01 179.24 1xi3 h GLU 112 N 0.51 0.95 -0.20 1.92 5.08 -1.87 -1.26 114.58 119.71 1xi3 h GLU 112 Ca 0.25 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1xi3 h GLU 112 Cb 0.19 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1xi3 h GLU 112 CO -0.19 0.75 0.02 0.00 -1.00 0.00 0.00 179.01 178.59 1xi3 h ALA 113 N 1.15 0.19 -0.48 3.43 0.00 -0.47 0.42 119.26 123.50 1xi3 h ALA 113 Ca 0.23 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1xi3 h ALA 113 Cb 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xi3 h ALA 113 CO -0.03 -0.41 -0.14 -0.07 0.00 0.00 0.00 179.25 178.60 1xi3 h LEU 114 N 0.09 0.91 -0.23 0.00 3.38 -0.99 -1.64 115.31 116.84 1xi3 h LEU 114 Ca 0.09 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1xi3 h LEU 114 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xi3 h LEU 114 CO -0.13 1.05 -0.01 -0.08 0.09 0.00 0.00 178.44 179.36 1xi3 h GLU 115 N 0.81 0.41 -0.59 1.13 4.57 -1.07 0.71 114.58 120.55 1xi3 h GLU 115 Ca 0.12 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xi3 h GLU 115 Cb 0.68 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1xi3 h GLU 115 CO 0.05 0.61 0.36 0.00 -1.18 0.00 0.00 179.01 178.85 1xi3 h ALA 116 N 0.79 0.75 -0.53 2.92 0.00 -0.77 -0.87 119.26 121.54 1xi3 h ALA 116 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xi3 h ALA 116 Cb 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xi3 h ALA 116 CO 0.01 0.22 0.34 1.49 0.00 0.00 0.00 179.25 181.31 1xi3 h GLU 117 N 0.79 0.67 -0.99 0.00 4.81 -1.16 -1.84 114.58 116.85 1xi3 h GLU 117 Ca 0.21 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1xi3 h GLU 117 Cb -0.03 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.14 1xi3 h GLU 117 CO -0.04 0.44 0.65 -0.22 -0.73 0.00 0.00 179.01 179.11 1xi3 h LYS 118 N 0.69 1.24 0.00 1.92 3.64 -0.19 -1.29 116.57 122.57 1xi3 h LYS 118 Ca 0.20 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xi3 h LYS 118 Cb -0.04 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 1xi3 h LYS 118 CO -0.07 0.82 0.00 1.63 -2.27 0.00 0.00 179.45 179.57 1xi3 n LYS 119 N -4.43 0.07 0.00 1.90 4.76 -0.39 -4.89 118.16 115.18 1xi3 n LYS 119 Ca 0.13 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1xi3 n LYS 119 Cb 0.08 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 1xi3 n LYS 119 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xi3 n GLY 120 N 0.45 1.36 3.66 0.72 0.00 -0.49 -4.61 105.19 106.29 1xi3 n GLY 120 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1xi3 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi3 n ALA 121 N -1.45 0.78 0.03 4.61 0.00 -0.73 -4.89 120.51 118.86 1xi3 n ALA 121 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 1xi3 n ALA 121 Cb 0.00 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.13 1xi3 n ALA 121 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xi3 h ASP 122 N 1.77 0.09 -5.23 0.00 5.19 -0.80 -3.45 116.42 114.00 1xi3 h ASP 122 Ca -0.46 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 55.75 1xi3 h ASP 122 Cb 1.32 -0.03 -0.11 0.00 0.18 0.00 0.00 39.33 40.69 1xi3 h ASP 122 CO 0.58 1.11 -0.18 -0.72 -3.12 0.00 0.00 179.24 176.91 1xi3 s TYR 123 N -2.64 0.30 -0.05 4.55 1.13 -1.02 -4.08 117.35 115.53 1xi3 s TYR 123 Ca -0.04 -0.65 0.04 0.00 -1.41 0.00 0.00 57.07 55.02 1xi3 s TYR 123 Cb 0.08 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 41.04 1xi3 s TYR 123 CO 0.83 -0.86 -0.17 -0.51 -2.51 0.00 0.00 175.55 172.33 1xi3 s LEU 124 N -2.97 2.57 -0.53 -3.49 1.43 -0.33 -1.46 118.68 113.90 1xi3 s LEU 124 Ca 0.18 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 1xi3 s LEU 124 Cb 0.01 -1.50 0.12 0.00 0.03 0.00 0.00 46.19 44.84 1xi3 s LEU 124 CO 0.03 0.33 0.48 -0.83 0.23 0.00 0.00 176.35 176.59 1xi3 s GLY 125 N -0.65 2.07 -0.29 -3.19 0.00 0.59 -0.26 107.32 105.59 1xi3 s GLY 125 Ca 0.10 -2.44 -0.11 0.00 0.00 0.00 0.00 44.72 42.27 1xi3 s GLY 125 CO 0.00 1.18 0.20 0.00 0.00 0.00 0.00 173.10 174.49 1xi3 s ALA 126 N 1.64 3.53 0.00 3.20 0.00 -0.05 -1.31 121.76 128.77 1xi3 s ALA 126 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1xi3 s ALA 126 Cb -0.29 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1xi3 s ALA 126 CO 0.04 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1xi3 n GLY 127 N 5.06 1.49 3.71 0.00 0.00 -0.95 -1.43 105.19 113.07 1xi3 n GLY 127 Ca -0.14 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1xi3 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xi3 s SER 128 N -0.39 7.31 0.08 1.61 0.01 -0.36 -4.14 113.70 117.84 1xi3 s SER 128 Ca 0.00 1.71 -0.22 0.00 1.31 0.00 0.00 55.95 58.75 1xi3 s SER 128 Cb 0.00 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.53 1xi3 s SER 128 CO 0.00 -0.31 1.67 0.58 0.41 0.00 0.00 173.24 175.60 1xi3 h VAL 129 N 4.77 1.09 -2.68 3.43 2.07 -0.92 0.49 116.25 124.51 1xi3 h VAL 129 Ca -0.41 -0.25 -0.49 0.00 0.82 0.00 0.00 66.70 66.38 1xi3 h VAL 129 Cb 1.21 1.10 -0.14 0.00 -1.52 0.00 0.00 31.29 31.95 1xi3 h VAL 129 CO 0.77 0.08 -0.70 -0.36 0.02 0.00 0.00 177.57 177.37 1xi3 s PHE 130 N -5.84 1.90 0.40 1.57 0.40 -0.61 -2.07 117.98 113.74 1xi3 s PHE 130 Ca -0.13 -0.63 -0.26 0.00 -0.60 0.00 0.00 56.93 55.30 1xi3 s PHE 130 Cb 0.06 -1.01 -0.10 0.00 0.51 0.00 0.00 43.02 42.48 1xi3 s PHE 130 CO 0.68 0.34 1.28 -2.30 0.70 0.00 0.00 175.22 175.91 1xi3 n PRO 131 N -0.52 1.99 0.00 0.24 -0.02 -1.26 -3.96 135.00 131.46 1xi3 n PRO 131 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1xi3 n PRO 131 Cb 0.62 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1xi3 n PRO 131 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xi3 n THR 132 N -0.06 0.00 0.00 3.45 -2.24 -1.26 -4.35 114.28 109.82 1xi3 n THR 132 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1xi3 n THR 132 Cb 0.39 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1xi3 n THR 132 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xi3 n ASP 137 N -0.80 0.00 -1.65 3.42 4.64 -1.26 -5.07 116.55 115.83 1xi3 n ASP 137 Ca 0.00 0.00 0.09 0.00 -1.38 0.00 0.00 54.79 53.50 1xi3 n ASP 137 Cb 0.00 0.00 0.37 0.00 -1.04 0.00 0.00 41.12 40.45 1xi3 n ASP 137 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xi3 n ALA 138 N 0.00 3.20 -1.95 -1.67 0.00 -1.26 -4.96 120.51 113.87 1xi3 n ALA 138 Ca 0.00 -1.63 -0.41 0.00 0.00 0.00 0.00 53.44 51.40 1xi3 n ALA 138 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1xi3 n ALA 138 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xi3 s ARG 139 N -1.95 4.41 -0.11 0.00 0.52 -1.26 -4.95 118.95 115.62 1xi3 s ARG 139 Ca 0.52 2.05 0.02 0.00 -0.52 0.00 0.00 55.73 57.80 1xi3 s ARG 139 Cb 0.34 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 1xi3 s ARG 139 CO 0.24 -0.19 -0.17 0.08 0.02 0.00 0.00 175.30 175.28 1xi3 s VAL 140 N -0.22 2.69 -0.04 3.52 1.01 -1.26 -1.23 120.40 124.88 1xi3 s VAL 140 Ca 0.54 -0.80 0.13 0.00 0.00 0.00 0.00 61.98 61.85 1xi3 s VAL 140 Cb -0.36 -2.08 -0.20 0.00 0.00 0.00 0.00 36.38 33.73 1xi3 s VAL 140 CO 0.41 0.55 0.25 2.30 0.00 0.00 0.00 175.10 178.60 1xi3 n ILE 141 N 3.35 0.15 -0.57 2.22 -5.35 0.17 -4.83 119.36 114.50 1xi3 n ILE 141 Ca -0.18 -0.34 0.07 0.00 -0.27 0.00 0.00 62.75 62.03 1xi3 n ILE 141 Cb 0.53 0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 1xi3 n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xi3 n GLY 142 N 1.83 -2.30 0.28 3.28 0.00 -0.88 -2.93 105.19 104.47 1xi3 n GLY 142 Ca -0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 1xi3 n GLY 142 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xi3 h LEU 143 N -0.54 0.80 -0.79 0.99 3.38 -1.94 0.09 115.31 117.30 1xi3 h LEU 143 Ca -0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1xi3 h LEU 143 Cb 0.53 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1xi3 h LEU 143 CO 0.02 0.56 0.39 -0.33 0.09 0.00 0.00 178.44 179.17 1xi3 h GLU 144 N 0.94 1.13 -0.38 1.13 5.08 -1.98 0.10 114.58 120.60 1xi3 h GLU 144 Ca 0.28 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1xi3 h GLU 144 Cb -0.04 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1xi3 h GLU 144 CO -0.09 0.87 -0.34 0.78 -1.00 0.00 0.00 179.01 179.23 1xi3 h GLY 145 N 1.11 0.98 0.73 -3.84 0.00 -1.39 -1.46 103.07 99.20 1xi3 h GLY 145 Ca 0.27 -0.99 0.02 0.00 0.00 0.00 0.00 47.33 46.64 1xi3 h GLY 145 CO -0.04 0.89 -0.08 -2.00 0.00 0.00 0.00 176.54 175.32 1xi3 h LEU 146 N 0.72 -0.24 -0.93 3.11 5.85 -0.81 -2.10 115.31 120.90 1xi3 h LEU 146 Ca 0.07 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1xi3 h LEU 146 Cb 0.93 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1xi3 h LEU 146 CO 0.09 -0.11 0.58 -0.09 -0.34 0.00 0.00 178.44 178.57 1xi3 h ARG 147 N -0.11 1.00 -0.62 1.25 9.65 -0.84 -1.62 114.38 123.09 1xi3 h ARG 147 Ca 0.05 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 1xi3 h ARG 147 Cb 0.18 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 1xi3 h ARG 147 CO -0.12 0.66 0.20 -0.22 2.80 0.00 0.00 179.97 183.29 1xi3 h LYS 148 N 1.03 0.93 -0.17 0.20 1.63 -1.02 -0.08 116.57 119.09 1xi3 h LYS 148 Ca 0.42 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1xi3 h LYS 148 Cb 0.24 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1xi3 h LYS 148 CO -0.20 0.80 0.06 0.82 -3.45 0.00 0.00 179.45 177.48 1xi3 h ILE 149 N 0.90 1.17 -0.78 2.00 2.04 -0.68 -2.13 117.51 120.04 1xi3 h ILE 149 Ca 0.20 -0.53 0.09 0.00 1.00 0.00 0.00 64.86 65.62 1xi3 h ILE 149 Cb 0.25 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 1xi3 h ILE 149 CO -0.01 0.17 0.43 0.58 0.00 0.00 0.00 178.15 179.32 1xi3 h VAL 150 N 0.10 0.90 0.00 1.67 2.07 -0.75 -0.90 116.25 119.35 1xi3 h VAL 150 Ca 0.05 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1xi3 h VAL 150 Cb 0.21 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1xi3 h VAL 150 CO -0.00 0.13 -0.20 -0.33 0.02 0.00 0.00 177.57 177.19 1xi3 h GLU 151 N 0.74 0.00 0.00 1.57 5.08 -0.81 -3.31 114.58 117.85 1xi3 h GLU 151 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xi3 h GLU 151 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xi3 h GLU 151 CO -0.24 0.20 -1.40 0.43 -1.00 0.00 0.00 179.01 177.00 1xi3 n SER 152 N -3.51 0.58 -4.42 1.42 7.64 -0.40 -4.97 113.62 109.96 1xi3 n SER 152 Ca -0.01 -0.56 -0.22 0.00 1.01 0.00 0.00 58.87 59.09 1xi3 n SER 152 Cb 0.36 1.39 -0.10 0.00 -1.01 0.00 0.00 64.21 64.85 1xi3 n SER 152 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1xi3 s VAL 153 N -3.22 2.19 -0.27 0.44 -7.23 -0.88 -5.01 120.40 106.43 1xi3 s VAL 153 Ca 0.01 -2.33 0.16 0.00 -1.81 0.00 0.00 61.98 58.02 1xi3 s VAL 153 Cb 0.15 -2.21 -0.23 0.00 0.56 0.00 0.00 36.38 34.65 1xi3 s VAL 153 CO 0.88 -0.47 0.47 0.29 -0.31 0.00 0.00 175.10 175.96 1xi3 n LYS 154 N -0.53 0.92 -2.38 4.82 4.76 -1.26 -4.90 118.16 119.58 1xi3 n LYS 154 Ca -0.06 -0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 54.99 1xi3 n LYS 154 Cb 0.60 -1.34 -0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1xi3 n LYS 154 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1xi3 s ILE 155 N -2.93 4.80 0.53 -0.18 -4.36 -1.26 -5.03 121.20 112.77 1xi3 s ILE 155 Ca -0.02 0.56 -0.22 0.00 -0.26 0.00 0.00 60.65 60.71 1xi3 s ILE 155 Cb 0.11 -3.84 -0.06 0.00 1.25 0.00 0.00 42.46 39.92 1xi3 s ILE 155 CO 0.67 -0.90 1.33 -2.65 0.24 0.00 0.00 174.94 173.63 1xi3 n PRO 156 N -2.26 1.72 -4.44 0.37 -0.02 -1.26 -4.85 135.00 124.28 1xi3 n PRO 156 Ca 0.03 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 1xi3 n PRO 156 Cb 0.54 -2.53 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 1xi3 n PRO 156 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xi3 s VAL 157 N -1.28 1.65 -0.23 -1.45 1.01 -1.26 -1.19 120.40 117.65 1xi3 s VAL 157 Ca 0.70 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1xi3 s VAL 157 Cb -0.43 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1xi3 s VAL 157 CO 0.51 0.47 0.06 -0.69 0.00 0.00 0.00 175.10 175.45 1xi3 s VAL 158 N 1.02 4.36 0.41 2.92 1.01 0.64 -0.72 120.40 130.05 1xi3 s VAL 158 Ca -0.05 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 1xi3 s VAL 158 Cb -0.15 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 1xi3 s VAL 158 CO -0.03 0.37 1.08 0.00 0.00 0.00 0.00 175.10 176.52 1xi3 s ALA 159 N 1.29 3.06 -0.02 5.51 0.00 -0.58 -0.87 121.76 130.15 1xi3 s ALA 159 Ca 0.05 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 1xi3 s ALA 159 Cb -0.15 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.69 1xi3 s ALA 159 CO 0.03 -0.31 0.18 -1.50 0.00 0.00 0.00 175.76 174.15 1xi3 s ILE 160 N -1.64 0.06 0.00 0.00 2.07 -0.52 -0.45 121.20 120.72 1xi3 s ILE 160 Ca 0.59 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 1xi3 s ILE 160 Cb -0.23 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1xi3 s ILE 160 CO 0.29 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1xi3 n GLY 161 N 1.81 1.79 2.22 1.50 0.00 -1.26 -0.79 105.19 110.46 1xi3 n GLY 161 Ca -0.20 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1xi3 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi3 n GLY 162 N 0.91 0.96 3.77 -0.02 0.00 -1.25 -1.57 105.19 107.99 1xi3 n GLY 162 Ca 0.00 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1xi3 n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xi3 s ILE 163 N -2.28 4.81 0.28 -0.61 1.01 -1.26 -4.80 121.20 118.35 1xi3 s ILE 163 Ca 0.00 1.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.96 1xi3 s ILE 163 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.51 1xi3 s ILE 163 CO 0.00 0.43 0.45 -0.46 0.00 0.00 0.00 174.94 175.36 1xi3 n ASN 164 N 2.54 -1.28 0.29 3.58 0.23 -1.26 -4.46 115.26 114.90 1xi3 n ASN 164 Ca -0.06 -2.37 0.16 0.00 -0.53 0.00 0.00 54.58 51.78 1xi3 n ASN 164 Cb 0.51 2.27 0.87 0.00 -2.08 0.00 0.00 39.78 41.35 1xi3 n ASN 164 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1xi3 h LYS 165 N 0.00 0.00 0.00 -3.83 2.10 -1.96 0.61 116.57 113.49 1xi3 h LYS 165 Ca -0.22 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.26 1xi3 h LYS 165 Cb 0.92 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.23 1xi3 h LYS 165 CO 0.30 0.06 -0.78 -0.44 -2.00 0.00 0.00 179.45 176.59 1xi3 h ASP 166 N 0.00 0.00 -0.00 7.07 3.32 -1.99 -3.35 116.42 121.46 1xi3 h ASP 166 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xi3 h ASP 166 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1xi3 h ASP 166 CO 0.01 0.78 -0.05 -0.46 -1.72 0.00 0.00 179.24 177.79 1xi3 n ASN 167 N -3.33 1.15 -0.28 6.45 0.23 -0.96 -4.77 115.26 113.75 1xi3 n ASN 167 Ca 0.01 -1.07 -0.01 0.00 -0.53 0.00 0.00 54.58 52.97 1xi3 n ASN 167 Cb 0.84 0.24 0.11 0.00 -2.08 0.00 0.00 39.78 38.88 1xi3 n ASN 167 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xi3 h ALA 168 N 0.94 1.05 -0.42 -2.53 0.00 -1.03 -1.66 119.26 115.62 1xi3 h ALA 168 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xi3 h ALA 168 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xi3 h ALA 168 CO 0.00 0.26 0.26 0.00 0.00 0.00 0.00 179.25 179.77 1xi3 h ARG 169 N 0.93 0.56 -0.80 0.00 3.08 -1.86 0.45 114.38 116.74 1xi3 h ARG 169 Ca 0.33 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1xi3 h ARG 169 Cb 0.08 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1xi3 h ARG 169 CO -0.14 0.40 0.39 1.49 -1.07 0.00 0.00 179.97 181.04 1xi3 h GLU 170 N 0.55 1.15 -0.11 0.04 4.57 -1.81 -0.51 114.58 118.46 1xi3 h GLU 170 Ca 0.15 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1xi3 h GLU 170 Cb -0.03 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1xi3 h GLU 170 CO -0.03 0.88 0.06 0.28 -1.18 0.00 0.00 179.01 179.02 1xi3 h VAL 171 N 1.14 1.10 -0.25 0.32 2.07 -0.87 -3.01 116.25 116.76 1xi3 h VAL 171 Ca 0.28 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1xi3 h VAL 171 Cb 0.11 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xi3 h VAL 171 CO -0.04 0.09 0.10 -0.07 0.02 0.00 0.00 177.57 177.67 1xi3 h LEU 172 N 0.07 0.31 0.00 2.57 3.38 -0.44 -1.44 115.31 119.75 1xi3 h LEU 172 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xi3 h LEU 172 Cb 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xi3 h LEU 172 CO -0.01 0.29 0.00 0.29 0.09 0.00 0.00 178.44 179.10 1xi3 n LYS 173 N -4.43 0.25 0.06 1.13 5.02 -0.24 -1.94 118.16 118.01 1xi3 n LYS 173 Ca 0.01 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1xi3 n LYS 173 Cb 0.13 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.09 1xi3 n LYS 173 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xi3 n THR 174 N -1.27 0.61 0.00 -0.18 -2.24 -0.54 -4.89 114.28 105.76 1xi3 n THR 174 Ca 0.08 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1xi3 n THR 174 Cb 0.13 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1xi3 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xi3 n GLY 175 N 0.70 0.95 3.70 3.38 0.00 -0.82 -4.70 105.19 108.40 1xi3 n GLY 175 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1xi3 n GLY 175 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xi3 s VAL 176 N -2.00 2.24 -0.73 1.61 -7.23 -1.25 -4.95 120.40 108.09 1xi3 s VAL 176 Ca 0.00 0.10 0.25 0.00 -1.81 0.00 0.00 61.98 60.52 1xi3 s VAL 176 Cb 0.00 -2.41 0.15 0.00 0.56 0.00 0.00 36.38 34.68 1xi3 s VAL 176 CO 0.00 -0.09 1.54 0.47 -0.31 0.00 0.00 175.10 176.72 1xi3 n ASP 177 N -3.50 0.68 -3.64 4.85 9.92 0.10 -4.99 116.55 119.97 1xi3 n ASP 177 Ca 0.12 0.29 0.01 0.00 -0.53 0.00 0.00 54.79 54.69 1xi3 n ASP 177 Cb 0.51 -0.24 -0.00 0.00 -0.64 0.00 0.00 41.12 40.75 1xi3 n ASP 177 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xi3 s GLY 178 N -3.53 -0.35 -0.02 0.44 0.00 -1.21 -3.86 107.32 98.79 1xi3 s GLY 178 Ca 0.09 0.54 0.06 0.00 0.00 0.00 0.00 44.72 45.41 1xi3 s GLY 178 CO 0.66 0.63 -0.21 -0.26 0.00 0.00 0.00 173.10 173.91 1xi3 s ILE 179 N -2.48 1.68 -0.15 0.90 -4.36 -0.67 -1.53 121.20 114.58 1xi3 s ILE 179 Ca 0.15 -0.90 -0.05 0.00 -0.26 0.00 0.00 60.65 59.59 1xi3 s ILE 179 Cb 0.03 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 1xi3 s ILE 179 CO -0.03 0.47 0.01 0.00 0.24 0.00 0.00 174.94 175.63 1xi3 s ALA 180 N -0.45 3.20 0.05 2.27 0.00 0.40 -1.14 121.76 126.09 1xi3 s ALA 180 Ca 0.07 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1xi3 s ALA 180 Cb -0.09 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 1xi3 s ALA 180 CO -0.00 0.27 -0.14 0.14 0.00 0.00 0.00 175.76 176.02 1xi3 s VAL 181 N 0.15 1.10 0.00 0.00 -7.23 -0.43 -4.23 120.40 109.77 1xi3 s VAL 181 Ca 0.01 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1xi3 s VAL 181 Cb -0.13 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.79 1xi3 s VAL 181 CO 0.02 -0.05 0.00 -0.38 -0.31 0.00 0.00 175.10 174.38 1xi3 n ILE 182 N 1.76 0.00 -0.30 -0.62 5.41 -1.26 -1.73 119.36 122.61 1xi3 n ILE 182 Ca -0.19 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.53 1xi3 n ILE 182 Cb 0.55 -0.70 0.11 0.00 -0.71 0.00 0.00 39.64 38.89 1xi3 n ILE 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1xi3 h SER 183 N 0.00 1.07 -0.62 4.38 0.02 -1.90 0.17 113.55 116.68 1xi3 h SER 183 Ca 0.00 -0.11 0.17 0.00 -0.84 0.00 0.00 61.79 61.01 1xi3 h SER 183 Cb 0.00 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1xi3 h SER 183 CO 0.00 0.88 0.44 0.00 -1.14 0.00 0.00 176.83 177.00 1xi3 h ALA 184 N 1.29 2.47 0.00 3.77 0.00 -1.91 -0.04 119.26 124.84 1xi3 h ALA 184 Ca 0.30 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.91 1xi3 h ALA 184 Cb 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1xi3 h ALA 184 CO -0.04 -0.64 -1.90 0.28 0.00 0.00 0.00 179.25 176.94 1xi3 n VAL 185 N -4.38 1.10 0.21 0.00 0.31 -0.83 -4.25 118.33 110.48 1xi3 n VAL 185 Ca 0.12 -0.21 0.08 0.00 -0.01 0.00 0.00 64.34 64.32 1xi3 n VAL 185 Cb 0.64 -1.81 0.39 0.00 -0.91 0.00 0.00 33.84 32.14 1xi3 n VAL 185 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1xi3 h MET 186 N -0.69 0.00 -0.02 5.55 2.07 -0.74 -2.39 114.93 118.71 1xi3 h MET 186 Ca -0.43 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.20 1xi3 h MET 186 Cb 1.33 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.06 1xi3 h MET 186 CO -0.26 0.29 -0.09 0.41 1.07 0.00 0.00 176.91 178.33 1xi3 n GLY 187 N 0.24 -0.03 3.81 8.32 0.00 -0.03 -4.40 105.19 113.10 1xi3 n GLY 187 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1xi3 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi3 s ALA 188 N -2.15 2.97 0.12 4.61 0.00 -0.90 -4.98 121.76 121.42 1xi3 s ALA 188 Ca 0.32 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 1xi3 s ALA 188 Cb 0.20 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1xi3 s ALA 188 CO 0.39 -0.07 1.65 0.93 0.00 0.00 0.00 175.76 178.67 1xi3 h GLU 189 N 1.77 0.49 -4.56 0.00 5.08 -1.92 -3.38 114.58 112.05 1xi3 h GLU 189 Ca -0.49 -0.09 -0.69 0.00 -1.00 0.00 0.00 59.36 57.09 1xi3 h GLU 189 Cb 1.20 -0.08 -0.34 0.00 0.50 0.00 0.00 28.75 30.03 1xi3 h GLU 189 CO 0.60 0.50 -0.59 0.34 -1.00 0.00 0.00 179.01 178.86 1xi3 s ASP 190 N -5.77 5.16 0.19 1.42 3.68 -1.26 -4.99 116.67 115.09 1xi3 s ASP 190 Ca -0.13 -1.85 -0.11 0.00 2.13 0.00 0.00 52.55 52.59 1xi3 s ASP 190 Cb 0.09 -1.79 0.11 0.00 -1.45 0.00 0.00 42.92 39.88 1xi3 s ASP 190 CO 0.74 -0.47 1.81 0.58 0.13 0.00 0.00 175.17 177.96 1xi3 h VAL 191 N 6.39 1.21 -0.29 1.11 2.07 -1.79 -2.02 116.25 122.94 1xi3 h VAL 191 Ca -0.14 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1xi3 h VAL 191 Cb 1.05 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xi3 h VAL 191 CO 0.65 0.23 0.14 -0.09 0.02 0.00 0.00 177.57 178.51 1xi3 h ARG 192 N 0.91 0.41 -0.73 1.57 2.43 -1.92 -1.84 114.38 115.21 1xi3 h ARG 192 Ca 0.24 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1xi3 h ARG 192 Cb 0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1xi3 h ARG 192 CO -0.04 0.39 0.23 -0.22 -1.51 0.00 0.00 179.97 178.82 1xi3 h LYS 193 N 0.33 1.14 -0.73 0.20 1.63 -1.84 0.54 116.57 117.83 1xi3 h LYS 193 Ca 0.10 -0.24 -0.05 0.00 -0.85 0.00 0.00 60.65 59.61 1xi3 h LYS 193 Cb 0.12 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1xi3 h LYS 193 CO -0.01 0.97 0.27 0.00 -3.45 0.00 0.00 179.45 177.22 1xi3 h ALA 194 N 1.15 0.95 -0.28 5.00 0.00 -1.21 -1.71 119.26 123.16 1xi3 h ALA 194 Ca 0.24 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1xi3 h ALA 194 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xi3 h ALA 194 CO -0.01 0.59 -0.18 1.15 0.00 0.00 0.00 179.25 180.81 1xi3 h THR 195 N 1.06 1.30 -0.63 0.00 2.02 -0.97 -2.63 112.91 113.05 1xi3 h THR 195 Ca 0.24 -1.30 0.10 0.00 0.77 0.00 0.00 66.41 66.22 1xi3 h THR 195 Cb 0.25 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 1xi3 h THR 195 CO -0.02 0.41 0.25 -0.33 0.37 0.00 0.00 175.52 176.21 1xi3 h GLU 196 N 0.36 0.42 -0.43 6.66 5.08 -0.59 0.12 114.58 126.20 1xi3 h GLU 196 Ca 0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xi3 h GLU 196 Cb 0.71 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1xi3 h GLU 196 CO 0.05 0.28 0.25 0.93 -1.00 0.00 0.00 179.01 179.52 1xi3 h GLU 197 N 0.44 0.59 -0.54 2.33 5.08 -1.24 -1.39 114.58 119.85 1xi3 h GLU 197 Ca 0.32 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1xi3 h GLU 197 Cb 0.40 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1xi3 h GLU 197 CO -0.31 0.44 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.99 1xi3 h LEU 198 N 0.56 1.01 -0.86 1.33 3.38 -1.06 -2.27 115.31 117.40 1xi3 h LEU 198 Ca 0.15 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1xi3 h LEU 198 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1xi3 h LEU 198 CO -0.03 1.11 0.46 -0.09 0.09 0.00 0.00 178.44 179.99 1xi3 h ARG 199 N 0.88 1.20 -0.20 1.13 9.65 -0.48 -0.03 114.38 126.53 1xi3 h ARG 199 Ca 0.14 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1xi3 h ARG 199 Cb 0.65 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1xi3 h ARG 199 CO 0.04 0.89 0.12 -0.22 2.80 0.00 0.00 179.97 183.60 1xi3 h LYS 200 N 1.20 0.28 -0.26 0.20 3.64 -1.12 -0.20 116.57 120.31 1xi3 h LYS 200 Ca 0.30 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1xi3 h LYS 200 Cb 0.04 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1xi3 h LYS 200 CO -0.05 0.24 0.03 0.82 -2.27 0.00 0.00 179.45 178.22 1xi3 h ILE 201 N 0.23 0.85 -0.53 2.00 2.04 -0.89 0.96 117.51 122.18 1xi3 h ILE 201 Ca 0.07 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1xi3 h ILE 201 Cb 0.04 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1xi3 h ILE 201 CO -0.01 0.02 0.16 0.58 0.00 0.00 0.00 178.15 178.90 1xi3 h VAL 202 N 0.12 0.77 -0.43 1.67 2.07 -0.80 -1.31 116.25 118.35 1xi3 h VAL 202 Ca 0.12 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1xi3 h VAL 202 Cb 0.14 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1xi3 h VAL 202 CO -0.18 0.06 -0.02 -0.33 0.02 0.00 0.00 177.57 177.13 1xi3 h GLU 203 N 0.32 0.77 -0.47 1.57 4.39 -0.21 -0.60 114.58 120.36 1xi3 h GLU 203 Ca 0.26 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1xi3 h GLU 203 Cb 0.32 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1xi3 h GLU 203 CO -0.29 0.85 0.11 0.93 -1.16 0.00 0.00 179.01 179.45 1xi3 h GLU 204 N 0.60 0.70 0.02 2.33 5.08 -0.65 0.24 114.58 122.91 1xi3 h GLU 204 Ca 0.12 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1xi3 h GLU 204 Cb 0.51 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1xi3 h GLU 204 CO 0.03 0.64 -0.61 0.28 -1.00 0.00 0.00 179.01 178.35 1xi3 h VAL 205 N 0.68 1.41 0.00 3.13 2.07 -1.15 -3.38 116.25 119.02 1xi3 h VAL 205 Ca 0.15 -2.30 -0.13 0.00 0.82 0.00 0.00 66.70 65.24 1xi3 h VAL 205 Cb 0.26 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1xi3 h VAL 205 CO -0.00 0.52 -0.63 -0.07 0.02 0.00 0.00 177.57 177.41 1xi3 h LEU 206 N -0.90 0.00 0.00 2.57 3.38 -1.16 -3.51 115.31 115.69 1xi3 h LEU 206 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1xi3 h LEU 206 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xi3 h LEU 206 CO -0.06 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.71