#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 -0.52 -0.47 -4.53 5.85 -2.02 -1.08 115.31 112.55 1xi3 h LEU 3 Ca 0.00 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1xi3 h LEU 3 Cb 0.00 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1xi3 h LEU 3 CO 0.00 -0.19 0.16 -0.09 -0.34 0.00 0.00 178.44 177.98 1xi3 h ARG 4 N -0.13 0.33 -0.51 1.25 2.43 -1.98 -1.54 114.38 114.23 1xi3 h ARG 4 Ca 0.14 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1xi3 h ARG 4 Cb 0.35 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1xi3 h ARG 4 CO -0.35 0.22 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.38 1xi3 h ASN 5 N 0.34 0.91 0.75 -3.80 2.35 -1.86 -3.19 115.58 111.08 1xi3 h ASN 5 Ca 0.22 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1xi3 h ASN 5 Cb 0.23 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1xi3 h ASN 5 CO -0.23 1.02 0.00 0.29 -1.65 0.00 0.00 177.43 176.86 1xi3 n LYS 6 N -4.27 0.01 -0.00 0.81 4.01 -0.43 -2.66 118.16 115.62 1xi3 n LYS 6 Ca 0.01 0.13 0.14 0.00 -0.51 0.00 0.00 58.31 58.09 1xi3 n LYS 6 Cb 0.35 -1.51 0.77 0.00 -0.51 0.00 0.00 35.03 34.13 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 -1.52 0.42 -0.11 -0.35 4.77 -0.62 -3.56 117.00 116.03 1xi3 n LEU 7 Ca 0.05 -0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.81 1xi3 n LEU 7 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1xi3 n LEU 7 CO 0.20 0.07 0.99 0.07 -1.33 0.00 0.00 177.39 177.40 1xi3 h LYS 8 N 0.64 0.39 -4.29 3.23 2.10 -1.60 -3.37 116.57 113.66 1xi3 h LYS 8 Ca 0.00 -0.02 -0.62 0.00 -2.00 0.00 0.00 60.65 58.01 1xi3 h LYS 8 Cb 0.14 -0.09 -0.39 0.00 -0.90 0.00 0.00 32.23 30.99 1xi3 h LYS 8 CO 0.00 0.26 -0.77 -1.17 -2.00 0.00 0.00 179.45 175.77 1xi3 s LEU 9 N -10.22 3.00 -0.28 7.07 2.96 -1.26 -1.58 118.68 118.37 1xi3 s LEU 9 Ca -0.13 -1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 52.28 1xi3 s LEU 9 Cb 0.11 -1.23 0.04 0.00 0.50 0.00 0.00 46.19 45.61 1xi3 s LEU 9 CO 0.71 -0.30 -0.02 -0.47 -1.32 0.00 0.00 176.35 174.96 1xi3 s TYR 10 N 1.32 3.18 -0.15 5.38 5.04 -0.33 -0.98 117.35 130.81 1xi3 s TYR 10 Ca 0.01 -1.71 -0.01 0.00 -2.44 0.00 0.00 57.07 52.92 1xi3 s TYR 10 Cb -0.19 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.01 1xi3 s TYR 10 CO -0.10 -0.76 -0.11 0.08 -1.34 0.00 0.00 175.55 173.32 1xi3 s VAL 11 N 1.29 3.16 -0.10 3.14 1.01 -0.22 -1.15 120.40 127.52 1xi3 s VAL 11 Ca -0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1xi3 s VAL 11 Cb -0.18 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1xi3 s VAL 11 CO -0.02 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 174.94 1xi3 s ILE 12 N 0.64 4.17 0.68 2.22 1.01 -0.81 -0.74 121.20 128.35 1xi3 s ILE 12 Ca -0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 1xi3 s ILE 12 Cb -0.15 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1xi3 s ILE 12 CO 0.03 0.57 1.08 0.42 0.00 0.00 0.00 174.94 177.04 1xi3 s THR 13 N -0.52 3.56 -0.29 2.92 -4.23 -0.37 -4.60 115.64 112.11 1xi3 s THR 13 Ca 0.09 0.63 0.04 0.00 -1.18 0.00 0.00 61.69 61.26 1xi3 s THR 13 Cb -0.12 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.71 1xi3 s THR 13 CO 0.02 -0.54 0.47 -0.62 -0.54 0.00 0.00 174.62 173.41 1xi3 s ASP 14 N -3.06 -0.33 0.27 3.99 3.68 -1.26 -4.50 116.67 115.45 1xi3 s ASP 14 Ca 0.63 -0.20 0.22 0.00 2.13 0.00 0.00 52.55 55.32 1xi3 s ASP 14 Cb -0.17 1.43 1.02 0.00 -1.45 0.00 0.00 42.92 43.76 1xi3 s ASP 14 CO 0.46 -0.33 1.66 -2.11 0.13 0.00 0.00 175.17 174.98 1xi3 n ARG 15 N 5.36 0.16 0.27 4.34 1.85 -1.24 -0.50 116.66 126.89 1xi3 n ARG 15 Ca 0.02 0.52 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 1xi3 n ARG 15 Cb 0.51 -1.89 0.74 0.00 -1.05 0.00 0.00 32.46 30.77 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 -3.34 114.38 115.04 1xi3 h ARG 16 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1xi3 h ARG 16 Cb 0.18 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1xi3 h ARG 16 CO 0.00 0.11 -2.06 1.28 -1.07 0.00 0.00 179.97 178.23 1xi3 n LEU 17 N -3.65 2.72 -3.62 3.04 4.77 0.34 -5.06 117.00 115.55 1xi3 n LEU 17 Ca -0.02 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1xi3 n LEU 17 Cb 0.22 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1xi3 n LEU 17 CO 0.30 0.75 0.33 -0.54 -1.33 0.00 0.00 177.39 176.89 1xi3 s LYS 18 N -2.37 0.85 0.51 3.23 1.02 -0.69 -4.87 119.74 117.42 1xi3 s LYS 18 Ca -0.25 0.49 -0.23 0.00 0.02 0.00 0.00 55.97 56.01 1xi3 s LYS 18 Cb 0.07 0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 37.72 1xi3 s LYS 18 CO 0.41 -0.19 1.27 -2.30 -0.92 0.00 0.00 175.35 173.62 1xi3 n PRO 19 N 1.84 1.68 0.00 -1.68 -0.02 -1.26 -3.61 135.00 131.95 1xi3 n PRO 19 Ca -0.17 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1xi3 n PRO 19 Cb 0.56 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1xi3 n PRO 19 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xi3 h GLU 20 N 1.55 0.09 0.14 -0.52 3.07 -1.94 -2.42 114.58 114.55 1xi3 h GLU 20 Ca -0.49 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 1xi3 h GLU 20 Cb 1.31 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1xi3 h GLU 20 CO 0.57 0.16 -0.07 0.28 -1.40 0.00 0.00 179.01 178.56 1xi3 h VAL 21 N -0.01 0.95 -0.52 3.13 2.07 -1.95 -0.30 116.25 119.62 1xi3 h VAL 21 Ca 0.02 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1xi3 h VAL 21 Cb 0.10 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1xi3 h VAL 21 CO -0.00 0.08 0.33 1.05 0.02 0.00 0.00 177.57 179.06 1xi3 h GLU 22 N -0.35 0.69 -0.45 1.57 9.09 -1.96 -1.36 114.58 121.81 1xi3 h GLU 22 Ca -0.02 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.24 1xi3 h GLU 22 Cb 0.28 -0.15 -0.02 0.00 -1.65 0.00 0.00 28.75 27.21 1xi3 h GLU 22 CO 0.03 0.48 -0.14 0.66 0.05 0.00 0.00 179.01 180.08 1xi3 h SER 23 N 0.70 0.84 -0.50 3.06 4.64 -1.35 -1.84 113.55 119.11 1xi3 h SER 23 Ca 0.19 -0.27 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1xi3 h SER 23 Cb -0.06 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 1xi3 h SER 23 CO -0.04 0.98 -0.09 0.58 -0.87 0.00 0.00 176.83 177.40 1xi3 h VAL 24 N 0.75 1.26 -0.31 0.95 2.07 -0.89 -0.21 116.25 119.88 1xi3 h VAL 24 Ca 0.12 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.43 1xi3 h VAL 24 Cb 0.65 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1xi3 h VAL 24 CO 0.05 0.43 0.18 -0.09 0.02 0.00 0.00 177.57 178.16 1xi3 h ARG 25 N 0.87 0.36 -0.48 1.57 2.43 -0.94 0.18 114.38 118.38 1xi3 h ARG 25 Ca 0.14 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1xi3 h ARG 25 Cb 0.63 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xi3 h ARG 25 CO 0.04 0.24 0.12 0.93 -1.51 0.00 0.00 179.97 179.80 1xi3 h GLU 26 N 0.37 0.76 -0.74 0.20 4.39 -1.11 -0.02 114.58 118.44 1xi3 h GLU 26 Ca 0.12 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1xi3 h GLU 26 Cb -0.00 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 1xi3 h GLU 26 CO -0.06 0.74 0.46 0.00 -1.16 0.00 0.00 179.01 178.99 1xi3 h ALA 27 N 0.99 0.94 -0.46 3.43 0.00 -0.70 -1.25 119.26 122.21 1xi3 h ALA 27 Ca 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1xi3 h ALA 27 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xi3 h ALA 27 CO 0.00 0.40 0.04 -0.07 0.00 0.00 0.00 179.25 179.62 1xi3 h LEU 28 N 1.01 0.76 -1.20 0.00 3.38 -0.75 -1.15 115.31 117.36 1xi3 h LEU 28 Ca 0.27 -0.28 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1xi3 h LEU 28 Cb -0.06 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 1xi3 h LEU 28 CO -0.05 0.85 0.60 -0.33 0.09 0.00 0.00 178.44 179.60 1xi3 h GLU 29 N 0.64 0.70 -0.00 1.13 5.08 -0.66 -1.81 114.58 119.66 1xi3 h GLU 29 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xi3 h GLU 29 Cb 0.44 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xi3 h GLU 29 CO 0.02 0.46 -0.12 0.41 -1.00 0.00 0.00 179.01 178.78 1xi3 n GLY 30 N -1.40 -0.95 0.00 -3.84 0.00 -0.50 -4.93 105.19 93.56 1xi3 n GLY 30 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.29 1.22 3.68 -0.02 0.00 -0.68 -3.07 105.19 107.62 1xi3 n GLY 31 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.17 1.16 0.28 4.61 0.00 -0.49 -4.86 120.51 120.03 1xi3 n ALA 32 Ca 0.00 0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.91 1xi3 n ALA 32 Cb 0.00 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.07 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 1.00 0.00 -3.80 0.00 -2.24 -0.15 -4.75 114.28 104.34 1xi3 n THR 33 Ca 0.08 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1xi3 n THR 33 Cb 0.34 0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 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 -3.01 -0.51 -0.06 6.98 0.00 -0.94 -1.95 121.76 122.26 1xi3 s ALA 34 Ca -0.02 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.61 1xi3 s ALA 34 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1xi3 s ALA 34 CO 0.72 -0.10 -0.22 0.42 0.00 0.00 0.00 175.76 176.57 1xi3 s ILE 35 N 0.19 1.85 -0.17 0.00 -1.09 -0.27 -1.06 121.20 120.66 1xi3 s ILE 35 Ca -0.01 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1xi3 s ILE 35 Cb -0.02 -1.58 -0.00 0.00 -1.58 0.00 0.00 42.46 39.28 1xi3 s ILE 35 CO -0.00 0.52 -0.12 -1.58 -1.23 0.00 0.00 174.94 172.52 1xi3 s GLN 36 N -0.01 3.27 -0.25 2.79 0.74 0.08 -0.47 119.66 125.81 1xi3 s GLN 36 Ca -0.06 -0.71 -0.27 0.00 0.05 0.00 0.00 55.36 54.37 1xi3 s GLN 36 Cb -0.14 -2.74 0.01 0.00 1.10 0.00 0.00 33.01 31.24 1xi3 s GLN 36 CO 0.04 -0.04 0.97 1.41 -0.55 0.00 0.00 175.29 177.11 1xi3 s MET 37 N 0.99 4.20 -0.30 1.67 -2.45 0.07 -1.23 119.30 122.26 1xi3 s MET 37 Ca -0.01 1.17 -0.00 0.00 -1.25 0.00 0.00 55.69 55.59 1xi3 s MET 37 Cb -0.15 -3.66 0.09 0.00 1.25 0.00 0.00 34.83 32.37 1xi3 s MET 37 CO -0.02 -0.63 0.07 0.50 1.05 0.00 0.00 175.02 176.00 1xi3 s ARG 38 N 3.12 0.88 -0.17 4.11 3.52 -1.26 -1.11 118.95 128.05 1xi3 s ARG 38 Ca 0.41 -1.11 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1xi3 s ARG 38 Cb -0.15 -2.21 0.02 0.00 -1.56 0.00 0.00 34.95 31.06 1xi3 s ARG 38 CO 0.08 -0.91 -0.17 0.42 -0.81 0.00 0.00 175.30 173.91 1xi3 s ILE 39 N 1.53 1.84 -0.02 4.11 1.01 -1.26 -4.64 121.20 123.77 1xi3 s ILE 39 Ca 0.07 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.62 1xi3 s ILE 39 Cb -0.18 -1.72 -0.20 0.00 0.01 0.00 0.00 42.46 40.37 1xi3 s ILE 39 CO -0.20 0.45 1.20 0.07 0.00 0.00 0.00 174.94 176.46 1xi3 h LYS 40 N 7.98 0.10 -1.81 2.79 5.09 -1.99 -3.43 116.57 125.30 1xi3 h LYS 40 Ca -0.40 -0.07 -0.33 0.00 0.09 0.00 0.00 60.65 59.93 1xi3 h LYS 40 Cb 1.13 0.01 -0.29 0.00 0.10 0.00 0.00 32.23 33.18 1xi3 h LYS 40 CO 0.58 0.66 -0.67 -0.80 -2.09 0.00 0.00 179.45 177.13 1xi3 s ASN 41 N -5.93 0.71 0.05 7.07 -0.87 -1.26 -5.12 114.94 109.58 1xi3 s ASN 41 Ca -0.16 -1.60 -0.12 0.00 -1.57 0.00 0.00 52.86 49.41 1xi3 s ASN 41 Cb 0.02 0.74 0.01 0.00 -0.02 0.00 0.00 41.25 42.00 1xi3 s ASN 41 CO 0.70 -0.23 0.25 0.00 -2.57 0.00 0.00 177.10 175.26 1xi3 s ALA 42 N 1.35 -0.52 0.62 0.60 0.00 -1.26 -5.14 121.76 117.41 1xi3 s ALA 42 Ca 0.19 -0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 1xi3 s ALA 42 Cb -0.12 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1xi3 s ALA 42 CO -0.04 -0.40 1.30 -2.14 0.00 0.00 0.00 175.76 174.47 1xi3 s PRO 43 N -2.68 2.71 0.30 0.00 0.02 -1.26 -4.80 135.00 129.28 1xi3 s PRO 43 Ca -0.04 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.09 1xi3 s PRO 43 Cb -0.00 -1.93 0.67 0.00 0.02 0.00 0.00 34.50 33.25 1xi3 s PRO 43 CO -0.04 -1.48 1.81 1.15 -0.33 0.00 0.00 177.00 178.10 1xi3 h THR 44 N 0.75 0.80 -0.92 0.99 2.02 -2.00 -1.65 112.91 112.90 1xi3 h THR 44 Ca -0.51 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1xi3 h THR 44 Cb 1.33 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 1xi3 h THR 44 CO 0.54 0.16 0.61 -0.09 0.37 0.00 0.00 175.52 177.10 1xi3 h ARG 45 N 0.86 1.18 -0.36 6.66 9.65 -1.99 -0.39 114.38 129.99 1xi3 h ARG 45 Ca 0.54 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 59.27 1xi3 h ARG 45 Cb 0.72 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1xi3 h ARG 45 CO -0.32 0.78 -0.10 1.49 2.80 0.00 0.00 179.97 184.62 1xi3 h GLU 46 N 1.22 0.70 -0.90 0.20 4.81 -1.68 -0.83 114.58 118.09 1xi3 h GLU 46 Ca 0.35 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1xi3 h GLU 46 Cb -0.10 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1xi3 h GLU 46 CO -0.09 0.86 0.59 0.52 -0.73 0.00 0.00 179.01 180.16 1xi3 h MET 47 N 0.49 1.13 -0.11 1.92 2.86 -0.92 -1.25 114.93 119.04 1xi3 h MET 47 Ca 0.09 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1xi3 h MET 47 Cb 0.61 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1xi3 h MET 47 CO 0.04 0.74 0.06 -0.92 1.06 0.00 0.00 176.91 177.89 1xi3 h TYR 48 N 1.16 0.15 -0.30 -0.22 5.03 -0.81 0.11 116.97 122.09 1xi3 h TYR 48 Ca 0.35 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.63 1xi3 h TYR 48 Cb -0.04 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 1xi3 h TYR 48 CO -0.01 0.18 0.09 0.93 -1.32 0.00 0.00 178.16 178.03 1xi3 h GLU 49 N 0.08 0.47 -0.41 1.82 4.39 -0.86 -0.14 114.58 119.92 1xi3 h GLU 49 Ca 0.04 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1xi3 h GLU 49 Cb 0.08 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1xi3 h GLU 49 CO -0.01 0.53 0.15 0.82 -1.16 0.00 0.00 179.01 179.34 1xi3 h ILE 50 N 0.33 1.20 -0.99 3.13 2.04 -1.26 -2.72 117.51 119.24 1xi3 h ILE 50 Ca 0.10 -0.64 0.10 0.00 1.00 0.00 0.00 64.86 65.41 1xi3 h ILE 50 Cb 0.26 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1xi3 h ILE 50 CO -0.00 0.23 0.63 1.23 0.00 0.00 0.00 178.15 180.24 1xi3 h GLY 51 N 0.52 1.55 1.01 5.37 0.00 -0.44 0.32 103.07 111.40 1xi3 h GLY 51 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1xi3 h GLY 51 CO -0.01 0.24 0.36 0.50 0.00 0.00 0.00 176.54 177.63 1xi3 h LYS 52 N 1.05 1.04 -0.40 4.80 1.57 -0.81 0.31 116.57 124.12 1xi3 h LYS 52 Ca 0.46 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1xi3 h LYS 52 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1xi3 h LYS 52 CO -0.22 0.80 -0.11 1.15 -0.57 0.00 0.00 179.45 180.51 1xi3 h THR 53 N 1.01 1.28 -0.15 -0.16 2.02 -0.95 -2.26 112.91 113.70 1xi3 h THR 53 Ca 0.25 -1.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.15 1xi3 h THR 53 Cb 0.10 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1xi3 h THR 53 CO -0.03 0.40 -0.26 -0.07 0.37 0.00 0.00 175.52 175.93 1xi3 h LEU 54 N 0.58 0.27 -0.61 2.58 3.38 -0.80 -1.37 115.31 119.35 1xi3 h LEU 54 Ca 0.10 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1xi3 h LEU 54 Cb 0.64 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1xi3 h LEU 54 CO 0.04 0.54 0.08 -0.09 0.09 0.00 0.00 178.44 179.10 1xi3 h ARG 55 N 0.24 1.03 -0.28 1.13 9.65 -0.71 -0.49 114.38 124.96 1xi3 h ARG 55 Ca 0.04 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 58.61 1xi3 h ARG 55 Cb 0.60 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1xi3 h ARG 55 CO 0.04 0.97 0.10 1.96 2.80 0.00 0.00 179.97 185.84 1xi3 h GLN 56 N 0.94 0.42 -0.13 0.20 4.20 -0.99 -1.93 115.11 117.82 1xi3 h GLN 56 Ca 0.18 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1xi3 h GLN 56 Cb 0.46 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1xi3 h GLN 56 CO 0.02 0.47 0.04 -0.07 -0.67 0.00 0.00 178.83 178.62 1xi3 h LEU 57 N 0.29 0.19 -0.76 1.46 3.38 -1.08 -0.93 115.31 117.85 1xi3 h LEU 57 Ca 0.09 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1xi3 h LEU 57 Cb 0.22 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1xi3 h LEU 57 CO -0.00 0.34 0.47 0.71 0.09 0.00 0.00 178.44 180.05 1xi3 h THR 58 N 0.03 1.06 -0.98 0.22 1.35 -1.10 -1.78 112.91 111.71 1xi3 h THR 58 Ca 0.04 -0.31 0.04 0.00 -0.55 0.00 0.00 66.41 65.63 1xi3 h THR 58 Cb 0.22 0.09 -0.06 0.00 -1.73 0.00 0.00 68.15 66.67 1xi3 h THR 58 CO -0.00 0.16 0.64 0.03 -0.25 0.00 0.00 175.52 176.10 1xi3 h ARG 59 N 0.89 1.21 -0.13 4.72 3.08 -0.98 0.30 114.38 123.46 1xi3 h ARG 59 Ca 0.32 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1xi3 h ARG 59 Cb 0.09 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1xi3 h ARG 59 CO -0.14 0.80 0.08 1.49 -1.07 0.00 0.00 179.97 181.13 1xi3 h GLU 60 N 1.24 0.18 -0.52 0.04 4.81 -0.31 -2.14 114.58 117.87 1xi3 h GLU 60 Ca 0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1xi3 h GLU 60 Cb -0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1xi3 h GLU 60 CO -0.12 0.13 0.00 0.66 -0.73 0.00 0.00 179.01 178.95 1xi3 n TYR 61 N -4.51 0.77 -3.57 0.92 4.01 -0.78 -4.98 117.16 109.03 1xi3 n TYR 61 Ca -0.01 -0.53 -0.26 0.00 -0.16 0.00 0.00 57.90 56.94 1xi3 n TYR 61 Cb 0.09 -0.05 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1xi3 n TYR 61 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xi3 n ASP 62 N 0.96 -5.26 -4.81 7.72 2.03 -0.30 -4.98 116.55 111.91 1xi3 n ASP 62 Ca 0.18 -0.56 -0.29 0.00 0.52 0.00 0.00 54.79 54.64 1xi3 n ASP 62 Cb 0.56 -4.21 -0.06 0.00 -0.72 0.00 0.00 41.12 36.69 1xi3 n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xi3 s ALA 63 N -3.22 3.65 0.50 -1.67 0.00 -0.06 -5.02 121.76 115.95 1xi3 s ALA 63 Ca 0.53 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 1xi3 s ALA 63 Cb -0.26 -1.49 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 1xi3 s ALA 63 CO 0.66 0.69 1.02 -0.51 0.00 0.00 0.00 175.76 177.61 1xi3 s LEU 64 N -2.63 3.77 -0.09 0.00 1.43 -0.82 -4.38 118.68 115.96 1xi3 s LEU 64 Ca 0.31 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1xi3 s LEU 64 Cb -0.12 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.58 1xi3 s LEU 64 CO 0.23 -0.75 -0.06 0.12 0.23 0.00 0.00 176.35 176.12 1xi3 s PHE 65 N -2.20 1.21 0.13 0.29 5.36 -1.26 -1.11 117.98 120.40 1xi3 s PHE 65 Ca 0.64 -0.51 0.10 0.00 -0.96 0.00 0.00 56.93 56.21 1xi3 s PHE 65 Cb -0.14 -1.03 -0.04 0.00 -0.34 0.00 0.00 43.02 41.47 1xi3 s PHE 65 CO 0.23 -0.38 -0.25 -0.06 -1.46 0.00 0.00 175.22 173.30 1xi3 s PHE 66 N 1.44 2.19 -0.12 10.12 0.40 0.38 -0.38 117.98 132.00 1xi3 s PHE 66 Ca -0.01 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1xi3 s PHE 66 Cb -0.13 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 1xi3 s PHE 66 CO -0.04 0.33 -0.12 0.08 0.70 0.00 0.00 175.22 176.16 1xi3 s VAL 67 N -1.17 3.12 0.12 -0.44 1.01 -0.73 -0.75 120.40 121.56 1xi3 s VAL 67 Ca 0.13 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1xi3 s VAL 67 Cb -0.10 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 1xi3 s VAL 67 CO 0.06 0.53 1.33 -0.62 0.00 0.00 0.00 175.10 176.40 1xi3 s ASP 68 N 0.17 6.90 0.00 3.32 2.15 -0.27 -1.42 116.67 127.52 1xi3 s ASP 68 Ca -0.07 2.27 0.00 0.00 0.43 0.00 0.00 52.55 55.18 1xi3 s ASP 68 Cb -0.15 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1xi3 s ASP 68 CO 0.05 -0.58 0.00 -0.67 -0.17 0.00 0.00 175.17 173.79 1xi3 n ASP 69 N 3.66 0.00 -4.53 -0.34 -0.08 0.49 -4.84 116.55 110.91 1xi3 n ASP 69 Ca 0.10 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.96 1xi3 n ASP 69 Cb 0.43 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.86 1xi3 n ASP 69 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1xi3 s ARG 70 N 0.00 3.26 0.28 -0.67 1.81 -1.26 -4.77 118.95 117.60 1xi3 s ARG 70 Ca 0.00 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 1xi3 s ARG 70 Cb 0.00 -4.41 0.41 0.00 -0.45 0.00 0.00 34.95 30.49 1xi3 s ARG 70 CO 0.00 -2.07 1.78 0.28 -0.68 0.00 0.00 175.30 174.61 1xi3 h VAL 71 N 6.13 1.24 -0.40 3.52 2.07 -1.91 -1.46 116.25 125.43 1xi3 h VAL 71 Ca -0.18 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.38 1xi3 h VAL 71 Cb 1.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1xi3 h VAL 71 CO 1.27 0.34 0.15 -2.24 0.02 0.00 0.00 177.57 177.12 1xi3 h ASP 72 N 0.63 0.18 -0.24 0.57 2.03 -1.99 0.67 116.42 118.26 1xi3 h ASP 72 Ca 0.12 0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.40 1xi3 h ASP 72 Cb 0.47 0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1xi3 h ASP 72 CO 0.02 0.14 -0.08 0.58 -1.03 0.00 0.00 179.24 178.87 1xi3 h VAL 73 N 0.32 1.29 -0.42 4.15 2.07 -1.88 0.10 116.25 121.88 1xi3 h VAL 73 Ca 0.18 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.65 1xi3 h VAL 73 Cb 0.15 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1xi3 h VAL 73 CO -0.18 0.34 0.13 0.00 0.02 0.00 0.00 177.57 177.89 1xi3 h ALA 74 N 0.75 0.49 -0.31 1.67 0.00 -1.10 -1.34 119.26 119.42 1xi3 h ALA 74 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xi3 h ALA 74 Cb 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xi3 h ALA 74 CO 0.03 -0.26 0.18 -0.07 0.00 0.00 0.00 179.25 179.12 1xi3 h LEU 75 N 0.29 0.37 -1.37 0.00 3.38 -0.64 -0.99 115.31 116.35 1xi3 h LEU 75 Ca 0.20 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xi3 h LEU 75 Cb 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xi3 h LEU 75 CO -0.22 0.34 0.15 0.00 0.09 0.00 0.00 178.44 178.80 1xi3 h ALA 76 N 1.05 1.51 -0.51 1.53 0.00 -0.43 -2.70 119.26 119.71 1xi3 h ALA 76 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xi3 h ALA 76 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xi3 h ALA 76 CO -0.02 0.38 0.00 1.33 0.00 0.00 0.00 179.25 180.94 1xi3 n VAL 77 N -4.37 0.68 -3.81 0.00 0.24 -0.55 -4.96 118.33 105.55 1xi3 n VAL 77 Ca 0.03 -0.84 -0.28 0.00 -2.04 0.00 0.00 64.34 61.21 1xi3 n VAL 77 Cb 0.15 0.82 0.04 0.00 -1.47 0.00 0.00 33.84 33.38 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 1.55 -4.98 -4.74 -1.34 4.64 -0.92 -4.83 116.55 105.94 1xi3 n ASP 78 Ca 0.21 -0.72 -0.32 0.00 -1.38 0.00 0.00 54.79 52.58 1xi3 n ASP 78 Cb 0.61 -4.22 0.09 0.00 -1.04 0.00 0.00 41.12 36.56 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 -3.33 2.13 0.37 -1.67 0.00 -0.42 -4.93 121.76 113.91 1xi3 s ALA 79 Ca 0.59 0.58 0.13 0.00 0.00 0.00 0.00 51.96 53.26 1xi3 s ALA 79 Cb -0.29 -3.37 0.73 0.00 0.00 0.00 0.00 23.12 20.19 1xi3 s ALA 79 CO 0.80 -1.85 1.83 -0.44 0.00 0.00 0.00 175.76 176.11 1xi3 h ASP 80 N -0.71 0.00 -1.72 0.00 5.19 -1.04 -3.47 116.42 114.66 1xi3 h ASP 80 Ca -0.45 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.10 1xi3 h ASP 80 Cb 1.26 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.74 1xi3 h ASP 80 CO 0.50 0.36 0.44 0.61 -3.12 0.00 0.00 179.24 178.04 1xi3 n GLY 81 N -0.47 0.70 2.96 2.75 0.00 -1.06 -0.79 105.19 109.27 1xi3 n GLY 81 Ca -0.02 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.19 0.24 -0.19 1.61 0.11 -0.19 -1.77 120.40 118.01 1xi3 s VAL 82 Ca 0.16 -0.49 -0.08 0.00 -2.93 0.00 0.00 61.98 58.64 1xi3 s VAL 82 Cb -0.01 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1xi3 s VAL 82 CO 0.02 -0.17 0.08 -1.58 -3.33 0.00 0.00 175.10 170.13 1xi3 s GLN 83 N -0.69 4.02 -0.07 1.54 2.00 -0.51 -0.66 119.66 125.29 1xi3 s GLN 83 Ca -0.05 -0.32 0.03 0.00 -2.00 0.00 0.00 55.36 53.02 1xi3 s GLN 83 Cb -0.05 -3.28 0.01 0.00 0.80 0.00 0.00 33.01 30.49 1xi3 s GLN 83 CO -0.00 0.25 -0.15 -0.51 -0.50 0.00 0.00 175.29 174.37 1xi3 s LEU 84 N 0.46 1.79 0.00 3.68 1.43 0.41 -0.38 118.68 126.06 1xi3 s LEU 84 Ca 0.04 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1xi3 s LEU 84 Cb -0.12 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1xi3 s LEU 84 CO 0.00 0.08 0.10 0.61 0.23 0.00 0.00 176.35 177.38 1xi3 n GLY 85 N 3.60 3.42 0.33 -3.19 0.00 -1.26 -0.74 105.19 107.35 1xi3 n GLY 85 Ca -0.21 -2.29 0.17 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.61 1.61 0.11 -1.97 -1.45 132.00 129.69 1xi3 h PRO 86 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1xi3 h PRO 86 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1xi3 h PRO 86 CO 0.40 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.58 1xi3 n GLU 87 N -3.64 2.57 -3.07 1.05 1.02 -1.26 -4.97 120.64 112.34 1xi3 n GLU 87 Ca 0.00 -2.42 -0.19 0.00 -0.02 0.00 0.00 57.16 54.53 1xi3 n GLU 87 Cb 0.28 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1xi3 n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1xi3 n ASP 88 N 1.50 2.14 -4.66 1.62 8.00 -0.55 -5.06 116.55 119.54 1xi3 n ASP 88 Ca 0.22 -2.40 -0.45 0.00 0.71 0.00 0.00 54.79 52.87 1xi3 n ASP 88 Cb 0.59 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 1xi3 n ASP 88 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1xi3 n MET 89 N -1.67 2.00 -1.68 -1.24 1.56 -1.26 -4.91 117.12 109.92 1xi3 n MET 89 Ca 0.03 0.71 -0.39 0.00 -0.27 0.00 0.00 57.70 57.79 1xi3 n MET 89 Cb 0.49 -2.39 0.04 0.00 2.15 0.00 0.00 33.22 33.51 1xi3 n MET 89 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1xi3 n PRO 90 N 2.32 1.41 -0.11 2.12 -0.02 -1.26 -4.78 135.00 134.68 1xi3 n PRO 90 Ca 0.13 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 62.08 1xi3 n PRO 90 Cb 0.30 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.23 0.66 -0.36 4.25 2.04 -1.94 -0.93 117.51 122.46 1xi3 h ILE 91 Ca -0.49 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1xi3 h ILE 91 Cb 1.33 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1xi3 h ILE 91 CO 0.55 0.01 0.12 1.05 0.00 0.00 0.00 178.15 179.88 1xi3 h GLU 92 N 0.05 0.51 -0.09 2.37 9.09 -1.91 -1.56 114.58 123.05 1xi3 h GLU 92 Ca 0.19 -0.07 -0.16 0.00 0.05 0.00 0.00 59.36 59.37 1xi3 h GLU 92 Cb 0.28 -0.09 0.01 0.00 -1.65 0.00 0.00 28.75 27.29 1xi3 h GLU 92 CO -0.36 0.45 -0.55 0.28 0.05 0.00 0.00 179.01 178.88 1xi3 h VAL 93 N 0.51 1.37 -0.86 -1.06 2.07 -1.69 -2.46 116.25 114.12 1xi3 h VAL 93 Ca 0.12 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 65.79 1xi3 h VAL 93 Cb 0.14 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1xi3 h VAL 93 CO -0.01 0.57 0.56 0.00 0.02 0.00 0.00 177.57 178.71 1xi3 h ALA 94 N 0.45 1.13 -0.90 1.67 0.00 -0.91 -1.62 119.26 119.09 1xi3 h ALA 94 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xi3 h ALA 94 Cb 1.21 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1xi3 h ALA 94 CO 0.11 0.42 0.56 0.87 0.00 0.00 0.00 179.25 181.20 1xi3 h LYS 95 N 1.10 1.21 -0.16 0.00 1.57 -1.26 0.13 116.57 119.16 1xi3 h LYS 95 Ca 0.34 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1xi3 h LYS 95 Cb -0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1xi3 h LYS 95 CO -0.11 0.83 0.01 0.93 -0.57 0.00 0.00 179.45 180.54 1xi3 h GLU 96 N 1.23 0.28 0.00 3.15 5.08 -0.87 -2.94 114.58 120.51 1xi3 h GLU 96 Ca 0.32 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1xi3 h GLU 96 Cb -0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1xi3 h GLU 96 CO -0.06 0.49 -0.30 -0.84 -1.00 0.00 0.00 179.01 177.30 1xi3 h ILE 97 N 0.04 0.00 -1.94 3.13 3.07 -1.11 -3.38 117.51 117.30 1xi3 h ILE 97 Ca 0.05 -0.56 -0.53 0.00 1.55 0.00 0.00 64.86 65.37 1xi3 h ILE 97 Cb 0.36 1.37 -0.39 0.00 -0.27 0.00 0.00 36.82 37.89 1xi3 h ILE 97 CO 0.01 0.00 -1.12 0.00 -1.05 0.00 0.00 178.15 175.99 1xi3 n ALA 98 N -1.85 2.21 0.31 0.16 0.00 0.44 -4.99 120.51 116.78 1xi3 n ALA 98 Ca 0.04 -3.34 0.16 0.00 0.00 0.00 0.00 53.44 50.30 1xi3 n ALA 98 Cb 0.45 -0.86 0.72 0.00 0.00 0.00 0.00 19.45 19.76 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 3.71 0.00 -0.02 0.00 0.13 -1.71 -2.47 132.00 131.64 1xi3 h PRO 99 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1xi3 h PRO 99 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1xi3 h PRO 99 CO 0.47 0.00 -0.35 0.09 -0.23 0.00 0.00 178.00 177.98 1xi3 n ASN 100 N -2.74 1.91 -4.77 1.44 3.02 -1.26 -4.95 115.26 107.92 1xi3 n ASN 100 Ca 0.00 -1.44 -0.38 0.00 -0.03 0.00 0.00 54.58 52.73 1xi3 n ASN 100 Cb 0.21 0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.40 4.41 0.05 3.41 1.43 -0.93 -4.94 118.68 119.70 1xi3 s LEU 101 Ca 0.22 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1xi3 s LEU 101 Cb 0.19 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1xi3 s LEU 101 CO 0.52 -0.16 1.12 -0.63 0.23 0.00 0.00 176.35 177.43 1xi3 s ILE 102 N -1.41 4.29 -0.29 -0.59 1.01 0.03 -4.93 121.20 119.32 1xi3 s ILE 102 Ca 0.49 1.67 -0.09 0.00 0.00 0.00 0.00 60.65 62.72 1xi3 s ILE 102 Cb -0.25 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1xi3 s ILE 102 CO 0.31 0.14 0.12 -0.63 0.00 0.00 0.00 174.94 174.89 1xi3 s ILE 103 N 0.96 4.49 -0.09 2.92 1.01 -1.26 -1.03 121.20 128.20 1xi3 s ILE 103 Ca 0.56 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 1xi3 s ILE 103 Cb -0.27 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1xi3 s ILE 103 CO 0.29 0.16 0.22 -0.83 0.00 0.00 0.00 174.94 174.78 1xi3 s GLY 104 N 1.61 2.25 -0.15 6.18 0.00 0.16 0.04 107.32 117.42 1xi3 s GLY 104 Ca 0.05 -0.51 0.02 0.00 0.00 0.00 0.00 44.72 44.27 1xi3 s GLY 104 CO 0.05 -0.19 -0.19 0.00 0.00 0.00 0.00 173.10 172.77 1xi3 s ALA 105 N -0.96 2.36 -0.15 3.20 0.00 -0.42 -0.44 121.76 125.35 1xi3 s ALA 105 Ca 0.17 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 1xi3 s ALA 105 Cb -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1xi3 s ALA 105 CO 0.07 -0.02 0.98 -1.12 0.00 0.00 0.00 175.76 175.66 1xi3 s SER 106 N 0.81 7.16 0.03 0.00 0.01 0.08 -0.30 113.70 121.48 1xi3 s SER 106 Ca -0.06 1.43 0.03 0.00 1.31 0.00 0.00 55.95 58.65 1xi3 s SER 106 Cb -0.15 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1xi3 s SER 106 CO -0.01 -0.49 -0.09 0.68 0.41 0.00 0.00 173.24 173.74 1xi3 s VAL 107 N 2.32 0.64 -0.05 3.43 -7.23 -0.14 -4.57 120.40 114.80 1xi3 s VAL 107 Ca 0.45 -0.88 0.07 0.00 -1.81 0.00 0.00 61.98 59.82 1xi3 s VAL 107 Cb -0.17 -0.64 0.11 0.00 0.56 0.00 0.00 36.38 36.24 1xi3 s VAL 107 CO 0.14 -0.19 1.00 -1.22 -0.31 0.00 0.00 175.10 174.52 1xi3 n TYR 108 N 1.87 0.00 -3.50 2.82 4.01 -1.26 -2.25 117.16 118.86 1xi3 n TYR 108 Ca -0.20 -0.43 -0.09 0.00 -0.16 0.00 0.00 57.90 57.03 1xi3 n TYR 108 Cb 0.55 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.60 -0.38 0.22 7.72 1.04 -1.26 -4.80 113.70 114.64 1xi3 s SER 109 Ca 0.12 0.00 -0.09 0.00 0.48 0.00 0.00 55.95 56.47 1xi3 s SER 109 Cb 0.11 0.40 0.18 0.00 0.10 0.00 0.00 66.02 66.81 1xi3 s SER 109 CO 0.01 -0.65 1.87 0.25 0.98 0.00 0.00 173.24 175.70 1xi3 h LEU 110 N 2.01 0.98 -0.45 2.42 5.85 -1.97 -1.22 115.31 122.93 1xi3 h LEU 110 Ca -0.23 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1xi3 h LEU 110 Cb 1.25 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1xi3 h LEU 110 CO 0.31 0.75 0.25 -0.33 -0.34 0.00 0.00 178.44 179.08 1xi3 h GLU 111 N 1.14 0.48 -0.61 1.25 3.07 -1.99 -1.53 114.58 116.38 1xi3 h GLU 111 Ca 0.30 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 1xi3 h GLU 111 Cb -0.07 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.71 1xi3 h GLU 111 CO -0.06 0.32 0.19 0.93 -1.40 0.00 0.00 179.01 178.99 1xi3 h GLU 112 N 0.49 0.94 0.04 2.33 5.08 -1.91 -0.95 114.58 120.61 1xi3 h GLU 112 Ca 0.19 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1xi3 h GLU 112 Cb 0.06 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1xi3 h GLU 112 CO -0.11 0.83 -0.29 0.00 -1.00 0.00 0.00 179.01 178.44 1xi3 h ALA 113 N 1.06 -0.44 -0.31 3.43 0.00 -0.91 0.32 119.26 122.42 1xi3 h ALA 113 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1xi3 h ALA 113 Cb 0.28 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xi3 h ALA 113 CO -0.01 -0.81 -0.16 -0.07 0.00 0.00 0.00 179.25 178.21 1xi3 h LEU 114 N -0.46 0.53 -0.20 0.00 3.38 -1.12 -2.04 115.31 115.39 1xi3 h LEU 114 Ca 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1xi3 h LEU 114 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1xi3 h LEU 114 CO -0.22 0.71 0.00 -0.08 0.09 0.00 0.00 178.44 178.94 1xi3 h GLU 115 N 0.49 0.35 -0.82 1.13 4.57 -1.02 -1.21 114.58 118.06 1xi3 h GLU 115 Ca 0.09 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1xi3 h GLU 115 Cb 0.56 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 1xi3 h GLU 115 CO 0.04 0.54 0.52 0.00 -1.18 0.00 0.00 179.01 178.92 1xi3 h ALA 116 N 0.79 1.09 -0.68 2.92 0.00 -0.75 -0.76 119.26 121.88 1xi3 h ALA 116 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xi3 h ALA 116 Cb 0.38 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xi3 h ALA 116 CO 0.01 0.31 0.35 1.49 0.00 0.00 0.00 179.25 181.41 1xi3 h GLU 117 N 0.99 0.97 -0.43 0.00 4.81 -1.24 -1.75 114.58 117.93 1xi3 h GLU 117 Ca 0.34 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1xi3 h GLU 117 Cb 0.06 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1xi3 h GLU 117 CO -0.13 0.75 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.65 1xi3 h LYS 118 N 0.94 0.71 0.00 1.92 1.63 -0.40 -2.45 116.57 118.92 1xi3 h LYS 118 Ca 0.24 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1xi3 h LYS 118 Cb 0.09 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1xi3 h LYS 118 CO -0.03 0.75 0.00 1.63 -3.45 0.00 0.00 179.45 178.34 1xi3 n LYS 119 N -4.21 0.05 0.00 1.90 5.02 -0.37 -4.89 118.16 115.66 1xi3 n LYS 119 Ca 0.02 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1xi3 n LYS 119 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1xi3 n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xi3 n GLY 120 N 0.83 1.36 3.69 0.72 0.00 -0.92 -4.58 105.19 106.30 1xi3 n GLY 120 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.23 1.21 0.03 4.61 0.00 -0.69 -4.88 120.51 119.56 1xi3 n ALA 121 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 1xi3 n ALA 121 Cb 0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.06 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 2.04 0.10 -5.13 0.00 3.32 -0.74 -3.44 116.42 112.57 1xi3 h ASP 122 Ca -0.48 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.36 1xi3 h ASP 122 Cb 1.30 -0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.69 1xi3 h ASP 122 CO 0.60 1.13 -0.13 -0.72 -1.72 0.00 0.00 179.24 178.39 1xi3 s TYR 123 N -2.64 -0.01 -0.05 4.55 1.13 -1.01 -4.04 117.35 115.28 1xi3 s TYR 123 Ca -0.04 -0.34 0.01 0.00 -1.41 0.00 0.00 57.07 55.29 1xi3 s TYR 123 Cb 0.08 0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 41.10 1xi3 s TYR 123 CO 0.83 -0.75 -0.07 -0.51 -2.51 0.00 0.00 175.55 172.54 1xi3 s LEU 124 N -2.87 3.16 -0.46 -3.49 1.43 -0.04 -1.30 118.68 115.12 1xi3 s LEU 124 Ca 0.08 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1xi3 s LEU 124 Cb 0.02 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.60 1xi3 s LEU 124 CO -0.07 0.35 0.36 -0.83 0.23 0.00 0.00 176.35 176.39 1xi3 s GLY 125 N -0.93 2.03 -0.28 -3.19 0.00 0.59 -0.01 107.32 105.53 1xi3 s GLY 125 Ca 0.13 -2.14 -0.09 0.00 0.00 0.00 0.00 44.72 42.62 1xi3 s GLY 125 CO 0.03 1.04 0.13 0.00 0.00 0.00 0.00 173.10 174.30 1xi3 s ALA 126 N 1.58 3.31 0.00 3.20 0.00 -0.06 -0.97 121.76 128.82 1xi3 s ALA 126 Ca 0.04 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1xi3 s ALA 126 Cb -0.24 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1xi3 s ALA 126 CO 0.05 -0.64 0.01 0.41 0.00 0.00 0.00 175.76 175.59 1xi3 n GLY 127 N 4.99 1.62 3.72 0.00 0.00 -0.95 -1.09 105.19 113.47 1xi3 n GLY 127 Ca -0.15 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.03 7.23 0.15 1.61 0.01 -0.66 -4.13 113.70 116.88 1xi3 s SER 128 Ca 0.00 1.48 -0.13 0.00 1.31 0.00 0.00 55.95 58.62 1xi3 s SER 128 Cb -0.00 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1xi3 s SER 128 CO 0.00 -0.15 1.67 0.58 0.41 0.00 0.00 173.24 175.75 1xi3 h VAL 129 N 4.59 1.24 -3.15 3.43 2.07 -1.02 0.27 116.25 123.68 1xi3 h VAL 129 Ca -0.42 -0.83 -0.38 0.00 0.82 0.00 0.00 66.70 65.89 1xi3 h VAL 129 Cb 1.21 0.80 -0.15 0.00 -1.52 0.00 0.00 31.29 31.63 1xi3 h VAL 129 CO 0.74 0.30 -0.72 -0.36 0.02 0.00 0.00 177.57 177.55 1xi3 s PHE 130 N -5.34 1.47 0.52 1.57 0.08 -0.65 -2.27 117.98 113.36 1xi3 s PHE 130 Ca -0.13 -0.67 -0.22 0.00 0.12 0.00 0.00 56.93 56.04 1xi3 s PHE 130 Cb 0.12 -0.71 -0.07 0.00 -0.57 0.00 0.00 43.02 41.78 1xi3 s PHE 130 CO 0.79 0.21 1.08 -2.30 -0.10 0.00 0.00 175.22 174.91 1xi3 n PRO 131 N -0.27 1.30 0.00 0.24 -0.02 -1.26 -4.14 135.00 130.85 1xi3 n PRO 131 Ca -0.09 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1xi3 n PRO 131 Cb 0.60 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.06 0.00 0.00 3.45 -2.24 -1.26 -4.42 114.28 108.75 1xi3 n THR 132 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1xi3 n THR 132 Cb 0.44 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1xi3 n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xi3 n ASP 137 N -0.28 0.00 -0.01 3.42 9.92 -1.26 -5.08 116.55 123.26 1xi3 n ASP 137 Ca 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.41 1xi3 n ASP 137 Cb 0.00 0.00 0.77 0.00 -0.64 0.00 0.00 41.12 41.25 1xi3 n ASP 137 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xi3 n ALA 138 N 0.00 2.55 -1.90 2.24 0.00 -1.26 -4.91 120.51 117.24 1xi3 n ALA 138 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1xi3 n ALA 138 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.47 4.19 -0.22 0.00 0.52 -1.26 -4.97 118.95 114.75 1xi3 s ARG 139 Ca 0.32 2.38 -0.02 0.00 -0.52 0.00 0.00 55.73 57.89 1xi3 s ARG 139 Cb 0.21 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 32.22 1xi3 s ARG 139 CO 0.45 -0.71 -0.08 0.08 0.02 0.00 0.00 175.30 175.05 1xi3 s VAL 140 N 2.21 2.95 -0.12 3.52 1.01 -1.26 -1.66 120.40 127.05 1xi3 s VAL 140 Ca 0.74 -0.75 0.17 0.00 0.00 0.00 0.00 61.98 62.14 1xi3 s VAL 140 Cb -0.42 -2.37 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 1xi3 s VAL 140 CO 0.32 0.38 0.84 0.16 0.00 0.00 0.00 175.10 176.81 1xi3 h ILE 141 N 5.88 0.51 -1.55 2.22 3.07 -0.66 -3.47 117.51 123.52 1xi3 h ILE 141 Ca -0.40 -2.00 0.19 0.00 1.55 0.00 0.00 64.86 64.19 1xi3 h ILE 141 Cb 1.14 2.05 -0.05 0.00 -0.27 0.00 0.00 36.82 39.68 1xi3 h ILE 141 CO 0.60 0.29 -0.28 0.61 -1.05 0.00 0.00 178.15 178.32 1xi3 n GLY 142 N 1.39 -1.71 0.26 0.16 0.00 -0.96 -1.96 105.19 102.37 1xi3 n GLY 142 Ca -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.64 0.42 0.21 0.99 3.38 -1.95 -1.12 115.31 116.59 1xi3 h LEU 143 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xi3 h LEU 143 Cb 0.63 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xi3 h LEU 143 CO 0.01 0.52 -0.10 -0.08 0.09 0.00 0.00 178.44 178.88 1xi3 h GLU 144 N 0.43 -0.27 -0.85 1.13 4.57 -1.97 -0.60 114.58 117.01 1xi3 h GLU 144 Ca 0.09 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1xi3 h GLU 144 Cb 0.35 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 1xi3 h GLU 144 CO 0.01 0.04 0.52 0.78 -1.18 0.00 0.00 179.01 179.19 1xi3 h GLY 145 N -0.61 1.24 0.93 1.92 0.00 -1.35 -1.69 103.07 103.51 1xi3 h GLY 145 Ca -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1xi3 h GLY 145 CO 0.05 0.49 0.19 -2.00 0.00 0.00 0.00 176.54 175.28 1xi3 h LEU 146 N 1.17 0.32 -0.95 3.11 5.85 -1.14 -2.13 115.31 121.54 1xi3 h LEU 146 Ca 0.31 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.07 1xi3 h LEU 146 Cb -0.06 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1xi3 h LEU 146 CO -0.06 0.23 0.61 -0.09 -0.34 0.00 0.00 178.44 178.80 1xi3 h ARG 147 N 0.40 1.14 -0.75 1.25 2.43 -0.70 -1.69 114.38 116.47 1xi3 h ARG 147 Ca 0.13 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1xi3 h ARG 147 Cb -0.00 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1xi3 h ARG 147 CO -0.06 0.76 0.28 0.87 -1.51 0.00 0.00 179.97 180.30 1xi3 h LYS 148 N 1.18 1.13 -0.29 0.20 1.79 -0.97 -0.71 116.57 118.90 1xi3 h LYS 148 Ca 0.38 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1xi3 h LYS 148 Cb 0.03 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1xi3 h LYS 148 CO -0.13 0.94 0.17 0.82 -1.08 0.00 0.00 179.45 180.17 1xi3 h ILE 149 N 1.09 1.10 -0.63 1.86 2.04 -1.04 -1.99 117.51 119.94 1xi3 h ILE 149 Ca 0.25 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1xi3 h ILE 149 Cb 0.25 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1xi3 h ILE 149 CO -0.02 0.10 0.35 0.58 0.00 0.00 0.00 178.15 179.17 1xi3 h VAL 150 N 0.37 1.00 -0.06 1.67 2.07 -0.96 -1.74 116.25 118.59 1xi3 h VAL 150 Ca 0.10 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1xi3 h VAL 150 Cb 0.01 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1xi3 h VAL 150 CO -0.02 0.12 -0.21 -0.33 0.02 0.00 0.00 177.57 177.16 1xi3 h GLU 151 N 0.67 0.09 0.00 1.57 5.08 -0.93 -3.31 114.58 117.75 1xi3 h GLU 151 Ca 0.27 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.32 1xi3 h GLU 151 Cb 0.13 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1xi3 h GLU 151 CO -0.16 0.30 -1.85 0.43 -1.00 0.00 0.00 179.01 176.73 1xi3 n SER 152 N -4.25 0.64 -4.91 1.42 7.64 -0.77 -4.95 113.62 108.43 1xi3 n SER 152 Ca -0.02 0.30 -0.21 0.00 1.01 0.00 0.00 58.87 59.95 1xi3 n SER 152 Cb 0.29 0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.63 4.74 -0.26 0.44 -7.23 -0.72 -5.03 120.40 109.71 1xi3 s VAL 153 Ca -0.06 -1.16 0.12 0.00 -1.81 0.00 0.00 61.98 59.06 1xi3 s VAL 153 Cb 0.08 -3.61 -0.16 0.00 0.56 0.00 0.00 36.38 33.25 1xi3 s VAL 153 CO 0.83 -0.31 0.36 0.29 -0.31 0.00 0.00 175.10 175.96 1xi3 n LYS 154 N -1.35 1.68 -2.26 4.82 4.76 -1.26 -4.89 118.16 119.66 1xi3 n LYS 154 Ca -0.07 -0.06 -0.30 0.00 -2.87 0.00 0.00 58.31 55.01 1xi3 n LYS 154 Cb 0.58 -1.17 -0.00 0.00 -1.84 0.00 0.00 35.03 32.59 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 -2.47 4.74 0.65 -0.18 -4.36 -1.26 -5.02 121.20 113.29 1xi3 s ILE 155 Ca -0.00 0.72 -0.18 0.00 -0.26 0.00 0.00 60.65 60.93 1xi3 s ILE 155 Cb 0.08 -3.83 -0.01 0.00 1.25 0.00 0.00 42.46 39.95 1xi3 s ILE 155 CO 0.48 -0.93 1.27 -2.84 0.24 0.00 0.00 174.94 173.16 1xi3 s PRO 156 N -4.74 2.58 -0.11 0.37 0.02 -1.26 -4.82 135.00 127.05 1xi3 s PRO 156 Ca 0.53 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1xi3 s PRO 156 Cb -0.11 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.58 1xi3 s PRO 156 CO 0.45 -1.55 -0.10 0.08 -0.33 0.00 0.00 177.00 175.55 1xi3 s VAL 157 N -1.50 1.15 -0.23 3.83 1.01 -1.26 -0.86 120.40 122.54 1xi3 s VAL 157 Ca 0.81 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1xi3 s VAL 157 Cb -0.35 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1xi3 s VAL 157 CO 0.39 0.38 0.05 -0.69 0.00 0.00 0.00 175.10 175.23 1xi3 s VAL 158 N 1.38 4.27 0.40 2.92 1.01 0.98 -0.73 120.40 130.63 1xi3 s VAL 158 Ca -0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 1xi3 s VAL 158 Cb -0.13 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 1xi3 s VAL 158 CO -0.05 0.38 1.07 0.00 0.00 0.00 0.00 175.10 176.49 1xi3 s ALA 159 N 1.28 3.09 -0.01 5.51 0.00 -0.37 -0.88 121.76 130.38 1xi3 s ALA 159 Ca 0.04 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 1xi3 s ALA 159 Cb -0.15 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1xi3 s ALA 159 CO 0.03 -0.27 0.21 -1.50 0.00 0.00 0.00 175.76 174.23 1xi3 s ILE 160 N -1.62 0.07 0.00 0.00 2.07 -0.25 -0.20 121.20 121.27 1xi3 s ILE 160 Ca 0.58 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1xi3 s ILE 160 Cb -0.23 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1xi3 s ILE 160 CO 0.29 -0.31 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 1xi3 n GLY 161 N 1.50 2.47 2.30 1.50 0.00 -1.26 -0.80 105.19 110.89 1xi3 n GLY 161 Ca -0.22 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 0.03 1.03 3.74 -0.02 0.00 -1.26 -1.64 105.19 107.07 1xi3 n GLY 162 Ca 0.00 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.42 4.75 0.32 -0.61 1.01 -1.26 -4.85 121.20 118.12 1xi3 s ILE 163 Ca 0.00 1.68 -0.06 0.00 0.00 0.00 0.00 60.65 62.27 1xi3 s ILE 163 Cb 0.00 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.35 1xi3 s ILE 163 CO 0.00 0.34 0.52 -0.46 0.00 0.00 0.00 174.94 175.34 1xi3 n ASN 164 N 2.96 -1.48 0.26 3.58 0.23 -1.26 -4.51 115.26 115.04 1xi3 n ASN 164 Ca -0.01 -2.54 0.14 0.00 -0.53 0.00 0.00 54.58 51.63 1xi3 n ASN 164 Cb 0.50 2.62 0.69 0.00 -2.08 0.00 0.00 39.78 41.51 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 -1.95 -0.16 116.57 112.73 1xi3 h LYS 165 Ca -0.26 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.31 1xi3 h LYS 165 Cb 1.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 1xi3 h LYS 165 CO 0.34 0.12 -0.42 -0.44 -2.00 0.00 0.00 179.45 177.05 1xi3 h ASP 166 N 0.00 0.00 -0.00 7.07 3.45 -1.99 -3.35 116.42 121.60 1xi3 h ASP 166 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xi3 h ASP 166 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1xi3 h ASP 166 CO 0.02 0.42 -0.02 -0.46 -1.57 0.00 0.00 179.24 177.62 1xi3 n ASN 167 N -3.28 1.23 -0.37 6.45 0.23 -0.96 -4.81 115.26 113.75 1xi3 n ASN 167 Ca 0.01 -1.12 -0.01 0.00 -0.53 0.00 0.00 54.58 52.94 1xi3 n ASN 167 Cb 0.65 0.12 0.12 0.00 -2.08 0.00 0.00 39.78 38.60 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 0.85 1.30 -0.14 -2.53 0.00 -1.17 -2.07 119.26 115.50 1xi3 h ALA 168 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xi3 h ALA 168 Cb 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xi3 h ALA 168 CO 0.00 0.63 0.08 -0.09 0.00 0.00 0.00 179.25 179.88 1xi3 h ARG 169 N 1.33 0.20 -0.73 0.00 2.43 -1.86 0.82 114.38 116.56 1xi3 h ARG 169 Ca 0.37 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1xi3 h ARG 169 Cb -0.12 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1xi3 h ARG 169 CO -0.09 0.18 0.32 1.05 -1.51 0.00 0.00 179.97 179.93 1xi3 h GLU 170 N 0.15 1.07 -0.13 0.20 4.11 -1.80 -0.60 114.58 117.58 1xi3 h GLU 170 Ca 0.05 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 1xi3 h GLU 170 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1xi3 h GLU 170 CO -0.01 0.84 0.08 0.28 0.07 0.00 0.00 179.01 180.27 1xi3 h VAL 171 N 1.05 1.06 0.00 -1.06 2.07 -1.11 -2.93 116.25 115.33 1xi3 h VAL 171 Ca 0.25 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 1xi3 h VAL 171 Cb 0.15 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1xi3 h VAL 171 CO -0.03 0.05 -0.26 -0.07 0.02 0.00 0.00 177.57 177.28 1xi3 h LEU 172 N 0.15 0.00 -2.28 2.57 3.38 -0.19 -2.25 115.31 116.69 1xi3 h LEU 172 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1xi3 h LEU 172 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xi3 h LEU 172 CO -0.01 0.26 -0.05 0.11 0.09 0.00 0.00 178.44 178.84 1xi3 h LYS 173 N 0.00 0.00 0.00 1.13 1.57 -0.93 -2.55 116.57 115.79 1xi3 h LYS 173 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xi3 h LYS 173 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xi3 h LYS 173 CO 0.03 0.05 0.00 0.25 -0.57 0.00 0.00 179.45 179.21 1xi3 n THR 174 N -3.67 1.39 -0.01 -0.16 -2.24 -0.84 -4.85 114.28 103.90 1xi3 n THR 174 Ca -0.02 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1xi3 n THR 174 Cb 0.15 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 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 -0.69 0.63 3.60 3.38 0.00 -0.96 -4.67 105.19 106.49 1xi3 n GLY 175 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1xi3 n GLY 175 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xi3 n VAL 176 N -2.00 0.00 0.53 1.61 0.24 -1.26 -4.94 118.33 112.51 1xi3 n VAL 176 Ca 0.00 -0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.36 1xi3 n VAL 176 Cb 0.00 -0.90 0.08 0.00 -1.47 0.00 0.00 33.84 31.55 1xi3 n VAL 176 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xi3 n ASP 177 N -3.52 0.65 -3.60 -1.34 8.00 0.09 -4.98 116.55 111.85 1xi3 n ASP 177 Ca 0.11 -0.03 -0.07 0.00 0.71 0.00 0.00 54.79 55.51 1xi3 n ASP 177 Cb 0.52 0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 42.14 1xi3 n ASP 177 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xi3 s GLY 178 N -3.72 -0.38 -0.05 0.44 0.00 -1.16 -3.80 107.32 98.64 1xi3 s GLY 178 Ca 0.04 0.62 0.06 0.00 0.00 0.00 0.00 44.72 45.44 1xi3 s GLY 178 CO 0.77 0.19 -0.22 -0.26 0.00 0.00 0.00 173.10 173.58 1xi3 s ILE 179 N -3.22 2.31 -0.13 0.90 -4.36 -0.62 -1.23 121.20 114.86 1xi3 s ILE 179 Ca 0.08 -0.98 -0.05 0.00 -0.26 0.00 0.00 60.65 59.43 1xi3 s ILE 179 Cb -0.01 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1xi3 s ILE 179 CO -0.05 0.57 0.05 0.00 0.24 0.00 0.00 174.94 175.75 1xi3 s ALA 180 N -0.33 3.43 0.04 2.27 0.00 0.71 -1.19 121.76 126.70 1xi3 s ALA 180 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1xi3 s ALA 180 Cb -0.12 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1xi3 s ALA 180 CO 0.02 0.44 -0.10 0.14 0.00 0.00 0.00 175.76 176.27 1xi3 s VAL 181 N -0.45 0.75 0.00 0.00 -7.23 -0.30 -4.33 120.40 108.84 1xi3 s VAL 181 Ca 0.09 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1xi3 s VAL 181 Cb -0.12 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.08 1xi3 s VAL 181 CO 0.02 -0.20 0.00 -0.38 -0.31 0.00 0.00 175.10 174.23 1xi3 n ILE 182 N 1.72 0.00 -0.30 -0.62 5.41 -1.26 -1.93 119.36 122.37 1xi3 n ILE 182 Ca -0.20 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.57 1xi3 n ILE 182 Cb 0.55 -0.43 0.21 0.00 -0.71 0.00 0.00 39.64 39.27 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 0.95 -0.23 4.38 0.02 -1.90 0.17 113.55 116.94 1xi3 h SER 183 Ca 0.00 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1xi3 h SER 183 Cb 0.00 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1xi3 h SER 183 CO 0.00 0.64 0.16 0.00 -1.14 0.00 0.00 176.83 176.49 1xi3 h ALA 184 N 1.48 2.17 0.00 3.77 0.00 -1.91 -0.95 119.26 123.82 1xi3 h ALA 184 Ca 0.36 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.03 1xi3 h ALA 184 Cb 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1xi3 h ALA 184 CO -0.12 -0.23 -1.71 0.28 0.00 0.00 0.00 179.25 177.48 1xi3 n VAL 185 N -4.48 1.25 0.22 0.00 0.31 -0.95 -4.39 118.33 110.29 1xi3 n VAL 185 Ca 0.02 -0.13 0.08 0.00 -0.01 0.00 0.00 64.34 64.30 1xi3 n VAL 185 Cb 0.28 -1.91 0.51 0.00 -0.91 0.00 0.00 33.84 31.81 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 -0.76 0.00 -0.19 5.55 2.07 -0.73 -2.52 114.93 118.36 1xi3 h MET 186 Ca -0.36 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.27 1xi3 h MET 186 Cb 1.23 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.96 1xi3 h MET 186 CO -0.22 0.26 0.00 0.41 1.07 0.00 0.00 176.91 178.43 1xi3 n GLY 187 N -0.40 0.95 3.81 8.32 0.00 -0.36 -4.34 105.19 113.18 1xi3 n GLY 187 Ca -0.01 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.77 2.91 0.35 4.61 0.00 -0.95 -4.95 121.76 121.97 1xi3 s ALA 188 Ca 0.34 0.43 0.08 0.00 0.00 0.00 0.00 51.96 52.81 1xi3 s ALA 188 Cb 0.21 -3.20 0.66 0.00 0.00 0.00 0.00 23.12 20.78 1xi3 s ALA 188 CO 0.30 -0.34 1.85 0.93 0.00 0.00 0.00 175.76 178.51 1xi3 h GLU 189 N 1.22 0.29 -3.30 0.00 5.08 -1.93 -3.36 114.58 112.59 1xi3 h GLU 189 Ca -0.48 -0.08 -0.61 0.00 -1.00 0.00 0.00 59.36 57.19 1xi3 h GLU 189 Cb 1.21 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 30.02 1xi3 h GLU 189 CO 0.59 0.47 -0.73 0.34 -1.00 0.00 0.00 179.01 178.69 1xi3 s ASP 190 N -6.85 3.88 0.15 1.42 -1.08 -1.26 -5.01 116.67 107.91 1xi3 s ASP 190 Ca -0.06 -2.36 -0.17 0.00 -0.52 0.00 0.00 52.55 49.45 1xi3 s ASP 190 Cb 0.15 -1.08 0.04 0.00 -1.46 0.00 0.00 42.92 40.57 1xi3 s ASP 190 CO 0.75 -0.31 1.76 0.58 0.52 0.00 0.00 175.17 178.47 1xi3 h VAL 191 N 5.69 0.94 -0.47 1.11 2.07 -1.80 -1.23 116.25 122.57 1xi3 h VAL 191 Ca -0.05 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1xi3 h VAL 191 Cb 0.96 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1xi3 h VAL 191 CO 0.49 0.05 0.26 -0.09 0.02 0.00 0.00 177.57 178.30 1xi3 h ARG 192 N 0.29 0.65 -0.62 1.57 2.43 -1.92 -1.28 114.38 115.51 1xi3 h ARG 192 Ca 0.15 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1xi3 h ARG 192 Cb 0.10 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1xi3 h ARG 192 CO -0.13 0.51 0.20 -0.22 -1.51 0.00 0.00 179.97 178.82 1xi3 h LYS 193 N 0.61 0.96 -0.73 0.20 3.64 -1.82 0.22 116.57 119.65 1xi3 h LYS 193 Ca 0.16 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1xi3 h LYS 193 Cb 0.05 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1xi3 h LYS 193 CO -0.03 0.85 0.43 0.00 -2.27 0.00 0.00 179.45 178.44 1xi3 h ALA 194 N 1.07 0.98 -0.38 5.00 0.00 -1.04 -0.85 119.26 124.05 1xi3 h ALA 194 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1xi3 h ALA 194 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xi3 h ALA 194 CO -0.01 0.15 0.04 1.15 0.00 0.00 0.00 179.25 180.58 1xi3 h THR 195 N 0.81 1.25 -0.90 0.00 2.02 -0.73 -2.59 112.91 112.77 1xi3 h THR 195 Ca 0.32 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.65 1xi3 h THR 195 Cb 0.15 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 1xi3 h THR 195 CO -0.16 0.31 0.56 -0.33 0.37 0.00 0.00 175.52 176.27 1xi3 h GLU 196 N 0.48 0.99 -0.61 6.66 5.08 -0.42 0.64 114.58 127.39 1xi3 h GLU 196 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1xi3 h GLU 196 Cb 0.40 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1xi3 h GLU 196 CO 0.01 0.65 0.25 0.93 -1.00 0.00 0.00 179.01 179.86 1xi3 h GLU 197 N 1.02 0.91 -0.29 2.33 5.08 -1.04 -1.60 114.58 120.98 1xi3 h GLU 197 Ca 0.39 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 1xi3 h GLU 197 Cb 0.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xi3 h GLU 197 CO -0.18 0.77 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.98 1xi3 h LEU 198 N 0.85 0.97 -1.16 1.33 3.38 -1.02 -3.00 115.31 116.65 1xi3 h LEU 198 Ca 0.20 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1xi3 h LEU 198 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1xi3 h LEU 198 CO -0.02 1.31 0.18 -0.09 0.09 0.00 0.00 178.44 179.92 1xi3 h ARG 199 N 0.67 0.77 -0.30 1.13 9.65 -0.66 0.00 114.38 125.64 1xi3 h ARG 199 Ca 0.02 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1xi3 h ARG 199 Cb 1.15 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 1xi3 h ARG 199 CO 0.12 0.65 0.16 -0.22 2.80 0.00 0.00 179.97 183.48 1xi3 h LYS 200 N 0.76 0.42 -0.23 0.20 3.64 -1.24 0.16 116.57 120.27 1xi3 h LYS 200 Ca 0.18 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xi3 h LYS 200 Cb 0.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xi3 h LYS 200 CO -0.01 0.37 0.13 0.82 -2.27 0.00 0.00 179.45 178.48 1xi3 h ILE 201 N 0.35 1.12 -0.40 2.00 2.04 -1.31 0.72 117.51 122.03 1xi3 h ILE 201 Ca 0.10 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1xi3 h ILE 201 Cb 0.08 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1xi3 h ILE 201 CO -0.02 0.11 0.06 0.58 0.00 0.00 0.00 178.15 178.89 1xi3 h VAL 202 N 0.27 0.77 -0.77 1.67 2.07 -0.77 -0.21 116.25 119.28 1xi3 h VAL 202 Ca 0.08 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1xi3 h VAL 202 Cb 0.07 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1xi3 h VAL 202 CO -0.01 0.03 0.44 -0.33 0.02 0.00 0.00 177.57 177.72 1xi3 h GLU 203 N 0.19 1.06 -0.04 1.57 4.39 -0.61 0.14 114.58 121.28 1xi3 h GLU 203 Ca 0.19 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1xi3 h GLU 203 Cb 0.24 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xi3 h GLU 203 CO -0.27 0.76 0.01 0.93 -1.16 0.00 0.00 179.01 179.28 1xi3 h GLU 204 N 1.07 0.07 0.07 2.33 5.08 -0.27 -1.33 114.58 121.60 1xi3 h GLU 204 Ca 0.28 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.38 1xi3 h GLU 204 Cb -0.00 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.26 1xi3 h GLU 204 CO -0.05 0.31 -0.97 0.28 -1.00 0.00 0.00 179.01 177.58 1xi3 h VAL 205 N -0.18 1.36 0.03 3.13 2.07 -0.91 -3.36 116.25 118.39 1xi3 h VAL 205 Ca 0.01 -2.33 -0.27 0.00 0.82 0.00 0.00 66.70 64.94 1xi3 h VAL 205 Cb 0.27 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 1xi3 h VAL 205 CO 0.00 0.69 -1.42 -0.07 0.02 0.00 0.00 177.57 176.79 1xi3 h LEU 206 N 0.09 0.12 0.00 2.57 3.38 -0.81 -3.49 115.31 117.15 1xi3 h LEU 206 Ca -0.14 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xi3 h LEU 206 Cb 1.67 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1xi3 h LEU 206 CO 0.19 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.47