#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiv n PRO 19 N 0.00 0.01 -1.62 0.00 -0.02 -1.26 -4.76 135.00 127.34 1xiv n PRO 19 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.04 1xiv n PRO 19 Cb 0.00 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1xiv n PRO 19 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1xiv n LYS 20 N -0.94 1.55 -2.13 -0.52 4.81 -1.26 -4.95 118.16 114.72 1xiv n LYS 20 Ca 0.00 0.54 -0.36 0.00 -0.87 0.00 0.00 58.31 57.63 1xiv n LYS 20 Cb 0.00 -1.99 0.02 0.00 0.02 0.00 0.00 35.03 33.08 1xiv n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xiv s ALA 21 N -1.10 2.66 -0.18 3.14 0.00 -1.26 -4.83 121.76 120.18 1xiv s ALA 21 Ca 0.58 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 1xiv s ALA 21 Cb -0.65 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 1xiv s ALA 21 CO 0.60 -0.96 -0.07 0.21 0.00 0.00 0.00 175.76 175.54 1xiv s LYS 22 N -3.22 3.42 -0.20 0.00 2.20 -1.26 -0.75 119.74 119.92 1xiv s LYS 22 Ca 0.74 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 1xiv s LYS 22 Cb -0.28 -2.88 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 1xiv s LYS 22 CO 0.31 -0.01 -0.17 0.42 -0.36 0.00 0.00 175.35 175.54 1xiv s ILE 23 N 0.98 2.11 -0.22 5.43 1.01 0.09 -0.69 121.20 129.93 1xiv s ILE 23 Ca -0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 1xiv s ILE 23 Cb -0.15 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1xiv s ILE 23 CO 0.00 0.39 0.02 -0.69 0.00 0.00 0.00 174.94 174.67 1xiv s VAL 24 N 1.25 4.10 -0.49 2.92 1.01 0.02 -0.97 120.40 128.23 1xiv s VAL 24 Ca 0.02 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 1xiv s VAL 24 Cb -0.15 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1xiv s VAL 24 CO -0.11 0.40 0.54 -0.76 0.00 0.00 0.00 175.10 175.17 1xiv s LEU 25 N 1.17 5.20 -0.74 3.92 1.43 0.31 -1.08 118.68 128.89 1xiv s LEU 25 Ca 0.03 -1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 51.87 1xiv s LEU 25 Cb -0.14 -2.35 0.09 0.00 0.03 0.00 0.00 46.19 43.82 1xiv s LEU 25 CO 0.02 -0.80 0.99 -0.69 0.23 0.00 0.00 176.35 176.10 1xiv s VAL 26 N 2.27 4.51 0.00 -1.59 1.01 0.16 -1.06 120.40 125.71 1xiv s VAL 26 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1xiv s VAL 26 Cb -0.21 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.48 1xiv s VAL 26 CO 0.10 -1.44 0.00 0.61 0.00 0.00 0.00 175.10 174.37 1xiv n GLY 27 N 5.39 3.08 1.69 4.51 0.00 -0.04 -1.29 105.19 118.53 1xiv n GLY 27 Ca 0.05 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 1xiv n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xiv n SER 28 N 0.00 4.33 -2.87 1.61 7.64 -1.11 -4.47 113.62 118.75 1xiv n SER 28 Ca 0.00 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1xiv n SER 28 Cb 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1xiv n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xiv n GLY 29 N -0.87 0.60 0.19 0.23 0.00 -1.26 -4.60 105.19 99.48 1xiv n GLY 29 Ca 0.40 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 1xiv n GLY 29 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1xiv h MET 30 N 0.00 0.61 -0.53 1.61 0.00 -1.99 -0.77 114.93 113.86 1xiv h MET 30 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 59.70 59.44 1xiv h MET 30 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 31.60 31.53 1xiv h MET 30 CO 0.00 0.77 0.18 0.82 0.00 0.00 0.00 176.91 178.68 1xiv h ILE 31 N 0.40 1.23 -0.83 -1.22 2.04 -1.93 -2.12 117.51 115.08 1xiv h ILE 31 Ca 0.09 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.26 1xiv h ILE 31 Cb 0.52 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1xiv h ILE 31 CO 0.03 0.28 0.51 1.23 0.00 0.00 0.00 178.15 180.20 1xiv h GLY 32 N 0.73 1.23 1.26 5.37 0.00 -1.72 -0.77 103.07 109.18 1xiv h GLY 32 Ca 0.17 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1xiv h GLY 32 CO -0.01 0.27 0.21 -1.33 0.00 0.00 0.00 176.54 175.68 1xiv h GLY 33 N 0.95 1.00 1.51 4.60 0.00 -0.83 -1.40 103.07 108.90 1xiv h GLY 33 Ca 0.35 -0.55 -0.21 0.00 0.00 0.00 0.00 47.33 46.93 1xiv h GLY 33 CO -0.16 0.52 -0.83 -2.08 0.00 0.00 0.00 176.54 173.99 1xiv h VAL 35 N 0.91 1.37 -0.48 4.60 2.07 -0.81 -2.15 116.25 121.76 1xiv h VAL 35 Ca 0.21 -2.24 0.02 0.00 0.82 0.00 0.00 66.70 65.51 1xiv h VAL 35 Cb 0.24 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1xiv h VAL 35 CO -0.01 0.68 0.29 0.24 0.02 0.00 0.00 177.57 178.78 1xiv h MET 36 N 0.30 0.55 -0.54 1.57 2.86 -0.91 -0.80 114.93 117.97 1xiv h MET 36 Ca -0.06 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1xiv h MET 36 Cb 1.43 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 1xiv h MET 36 CO 0.15 0.37 0.29 0.00 1.06 0.00 0.00 176.91 178.77 1xiv h ALA 37 N 1.22 0.69 -0.33 6.32 0.00 -1.06 -0.33 119.26 125.77 1xiv h ALA 37 Ca 0.19 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1xiv h ALA 37 Cb 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1xiv h ALA 37 CO -0.09 0.22 0.04 1.15 0.00 0.00 0.00 179.25 180.58 1xiv h THR 38 N 0.72 0.81 -0.16 0.00 2.02 -1.03 -2.10 112.91 113.17 1xiv h THR 38 Ca 0.19 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.17 1xiv h THR 38 Cb 0.06 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1xiv h THR 38 CO -0.03 0.03 -0.52 -0.07 0.37 0.00 0.00 175.52 175.30 1xiv h LEU 39 N 0.15 0.48 -0.56 2.58 3.38 -0.74 -1.31 115.31 119.30 1xiv h LEU 39 Ca 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xiv h LEU 39 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xiv h LEU 39 CO -0.22 0.92 0.33 0.40 0.09 0.00 0.00 178.44 179.95 1xiv h ILE 40 N 0.34 1.17 -0.31 1.22 2.04 -0.80 -1.14 117.51 120.04 1xiv h ILE 40 Ca 0.01 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1xiv h ILE 40 Cb 1.03 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1xiv h ILE 40 CO 0.09 0.18 0.00 0.58 0.00 0.00 0.00 178.15 179.00 1xiv h VAL 41 N 0.76 1.26 -1.00 1.67 2.07 -1.16 0.25 116.25 120.09 1xiv h VAL 41 Ca 0.20 -0.94 0.15 0.00 0.82 0.00 0.00 66.70 66.93 1xiv h VAL 41 Cb -0.00 1.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 1xiv h VAL 41 CO -0.04 0.30 0.62 1.56 0.02 0.00 0.00 177.57 180.04 1xiv h GLN 42 N 0.34 0.87 -0.05 1.57 1.08 -0.95 -1.74 115.11 116.22 1xiv h GLN 42 Ca 0.09 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1xiv h GLN 42 Cb 0.43 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1xiv h GLN 42 CO 0.02 0.58 0.00 1.63 -0.95 0.00 0.00 178.83 180.10 1xiv n LYS 43 N -4.67 1.87 -4.05 1.46 5.02 -0.46 -4.97 118.16 112.37 1xiv n LYS 43 Ca 0.21 -1.27 -0.31 0.00 -2.02 0.00 0.00 58.31 54.92 1xiv n LYS 43 Cb 0.44 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1xiv n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xiv n ASN 44 N 0.53 -2.69 0.09 4.39 5.15 -0.04 -4.90 115.26 117.78 1xiv n ASN 44 Ca 0.17 -0.94 -0.04 0.00 -0.60 0.00 0.00 54.58 53.17 1xiv n ASN 44 Cb 0.42 -3.18 -0.07 0.00 -0.53 0.00 0.00 39.78 36.42 1xiv n ASN 44 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xiv h LEU 45 N -1.76 0.00 0.00 1.20 3.38 -1.53 -3.48 115.31 113.12 1xiv h LEU 45 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1xiv h LEU 45 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1xiv h LEU 45 CO 0.70 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.67 1xiv n GLY 46 N 1.31 0.01 3.77 0.83 0.00 -1.26 -4.50 105.19 105.34 1xiv n GLY 46 Ca 0.01 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1xiv n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xiv s ASP 47 N 0.00 6.03 -0.08 1.61 1.01 0.07 -4.64 116.67 120.66 1xiv s ASP 47 Ca 0.00 2.42 0.04 0.00 0.71 0.00 0.00 52.55 55.71 1xiv s ASP 47 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1xiv s ASP 47 CO 0.00 -1.02 -0.20 -0.69 0.21 0.00 0.00 175.17 173.46 1xiv s VAL 49 N -1.47 1.75 -0.21 -1.27 1.01 0.30 -0.73 120.40 119.77 1xiv s VAL 49 Ca 0.64 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1xiv s VAL 49 Cb -0.32 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1xiv s VAL 49 CO 0.38 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 175.27 1xiv s VAL 50 N 0.39 3.73 -0.64 2.92 1.01 -0.14 -1.68 120.40 125.99 1xiv s VAL 50 Ca -0.16 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 1xiv s VAL 50 Cb -0.17 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.60 1xiv s VAL 50 CO 0.07 0.41 0.88 -0.76 0.00 0.00 0.00 175.10 175.71 1xiv s LEU 51 N 1.28 4.71 -0.01 3.92 1.43 0.34 -0.53 118.68 129.81 1xiv s LEU 51 Ca 0.04 -1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 51.87 1xiv s LEU 51 Cb -0.15 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 1xiv s LEU 51 CO 0.00 -1.34 0.35 0.12 0.23 0.00 0.00 176.35 175.72 1xiv s PHE 52 N 3.61 3.69 0.15 0.29 5.36 -0.22 -1.17 117.98 129.69 1xiv s PHE 52 Ca 0.19 0.87 -0.22 0.00 -0.96 0.00 0.00 56.93 56.82 1xiv s PHE 52 Cb -0.19 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.35 1xiv s PHE 52 CO 0.09 0.65 0.56 0.34 -1.46 0.00 0.00 175.22 175.39 1xiv s ASP 53 N -1.15 -0.50 0.30 6.13 -1.08 -0.61 -0.86 116.67 118.91 1xiv s ASP 53 Ca 0.23 -0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.46 1xiv s ASP 53 Cb -0.15 0.57 0.64 0.00 -1.46 0.00 0.00 42.92 42.51 1xiv s ASP 53 CO 0.12 -0.93 1.71 0.16 0.52 0.00 0.00 175.17 176.75 1xiv h ILE 54 N 2.11 0.00 -2.81 4.11 3.07 -1.91 -3.38 117.51 118.71 1xiv h ILE 54 Ca -0.34 -0.68 -0.53 0.00 1.55 0.00 0.00 64.86 64.86 1xiv h ILE 54 Cb 1.29 1.67 0.02 0.00 -0.27 0.00 0.00 36.82 39.53 1xiv h ILE 54 CO 0.40 0.00 0.90 -0.69 -1.05 0.00 0.00 178.15 177.71 1xiv s VAL 55 N -3.15 3.15 0.39 0.16 1.01 -1.26 -4.98 120.40 115.71 1xiv s VAL 55 Ca 0.09 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.49 1xiv s VAL 55 Cb 0.09 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 1xiv s VAL 55 CO 0.62 0.02 1.26 -0.54 0.00 0.00 0.00 175.10 176.46 1xiv s LYS 56 N 2.09 4.09 0.00 2.72 -0.14 -1.26 -4.30 119.74 122.94 1xiv s LYS 56 Ca 0.70 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 57.38 1xiv s LYS 56 Cb -0.38 -2.81 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1xiv s LYS 56 CO 0.30 -0.36 0.00 0.09 -0.76 0.00 0.00 175.35 174.62 1xiv n ASN 57 N 0.28 0.00 -0.19 2.83 3.02 -1.26 -4.70 115.26 115.24 1xiv n ASN 57 Ca 0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1xiv n ASN 57 Cb 0.44 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.66 1xiv n ASN 57 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1xiv h MET 58 N 0.00 0.00 -0.60 3.52 4.05 -2.01 -1.14 114.93 118.76 1xiv h MET 58 Ca 0.00 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1xiv h MET 58 Cb 0.00 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1xiv h MET 58 CO 0.00 0.00 0.29 -1.00 0.23 0.00 0.00 176.91 176.43 1xiv h PRO 59 N 0.00 0.84 -0.92 0.39 0.13 -1.84 -1.33 132.00 129.27 1xiv h PRO 59 Ca 0.28 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1xiv h PRO 59 Cb 0.42 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.35 1xiv h PRO 59 CO -0.59 0.65 0.54 0.45 -0.23 0.00 0.00 178.00 178.81 1xiv h HIS 60 N 0.84 1.24 -0.22 1.56 3.86 -1.53 -0.34 115.15 120.55 1xiv h HIS 60 Ca 0.21 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1xiv h HIS 60 Cb 0.08 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 1xiv h HIS 60 CO 0.01 0.83 0.03 0.78 0.86 0.00 0.00 177.93 180.44 1xiv h GLY 61 N 1.28 0.41 1.24 2.45 0.00 -0.48 -1.48 103.07 106.50 1xiv h GLY 61 Ca 0.33 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1xiv h GLY 61 CO -0.06 0.26 0.05 0.50 0.00 0.00 0.00 176.54 177.29 1xiv h LYS 62 N 0.17 0.92 -0.68 4.80 1.57 -1.21 -2.10 116.57 120.05 1xiv h LYS 62 Ca 0.07 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1xiv h LYS 62 Cb 0.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1xiv h LYS 62 CO 0.01 0.88 0.32 0.00 -0.57 0.00 0.00 179.45 180.08 1xiv h ALA 63 N 1.19 0.88 -0.08 3.86 0.00 -0.97 -1.24 119.26 122.90 1xiv h ALA 63 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xiv h ALA 63 Cb 0.44 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xiv h ALA 63 CO 0.02 0.46 -0.02 1.25 0.00 0.00 0.00 179.25 180.95 1xiv h LEU 64 N 0.95 0.16 -0.38 0.00 5.85 -0.93 -0.53 115.31 120.43 1xiv h LEU 64 Ca 0.23 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1xiv h LEU 64 Cb 0.14 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1xiv h LEU 64 CO -0.03 0.50 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.77 1xiv h ASP 65 N -0.19 -0.20 -0.04 1.25 3.58 -1.30 -2.65 116.42 116.86 1xiv h ASP 65 Ca 0.02 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 1xiv h ASP 65 Cb 0.44 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1xiv h ASP 65 CO 0.01 -0.06 -0.25 0.74 -2.88 0.00 0.00 179.24 176.80 1xiv h THR 66 N 0.08 1.26 -0.20 2.25 2.02 -1.04 -2.98 112.91 114.30 1xiv h THR 66 Ca 0.18 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1xiv h THR 66 Cb 0.27 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1xiv h THR 66 CO -0.33 0.39 0.08 0.77 0.37 0.00 0.00 175.52 176.80 1xiv h SER 67 N 0.41 0.25 0.57 4.18 4.64 -0.72 -1.68 113.55 121.20 1xiv h SER 67 Ca 0.06 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1xiv h SER 67 Cb 0.65 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1xiv h SER 67 CO 0.05 0.23 -0.14 0.45 -0.87 0.00 0.00 176.83 176.55 1xiv h HIS 68 N 0.28 0.00 0.00 4.77 -0.00 -1.52 -2.52 115.15 116.16 1xiv h HIS 68 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1xiv h HIS 68 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1xiv h HIS 68 CO 0.00 0.14 0.00 0.25 -0.00 0.00 0.00 177.93 178.32 1xiv n THR 69 N -3.49 1.02 -0.20 2.45 -2.24 -0.63 -1.96 114.28 109.23 1xiv n THR 69 Ca -0.01 0.31 0.17 0.00 -2.27 0.00 0.00 64.05 62.25 1xiv n THR 69 Cb 0.29 -1.19 0.50 0.00 -2.10 0.00 0.00 70.33 67.83 1xiv n THR 69 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xiv h ASN 70 N 0.00 0.41 0.30 3.42 2.35 -1.61 0.13 115.58 120.58 1xiv h ASN 70 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1xiv h ASN 70 Cb 0.25 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1xiv h ASN 70 CO 0.00 0.19 -0.14 0.58 -1.65 0.00 0.00 177.43 176.41 1xiv h VAL 71 N 0.42 0.70 -0.28 2.81 2.07 -1.63 -1.34 116.25 118.99 1xiv h VAL 71 Ca 0.42 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1xiv h VAL 71 Cb 0.99 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1xiv h VAL 71 CO -0.15 0.12 0.12 0.24 0.02 0.00 0.00 177.57 177.92 1xiv h MET 72 N -0.76 0.38 -0.01 1.57 2.86 -1.66 -2.91 114.93 114.41 1xiv h MET 72 Ca -0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xiv h MET 72 Cb 0.50 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1xiv h MET 72 CO 0.07 0.31 -0.35 0.00 1.06 0.00 0.00 176.91 177.99 1xiv n ALA 73 N -2.49 3.27 -3.66 6.32 0.00 0.01 -4.95 120.51 119.01 1xiv n ALA 73 Ca 0.01 -0.40 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 1xiv n ALA 73 Cb 0.12 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.50 1xiv n ALA 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xiv n TYR 73 N -0.91 -2.44 -3.69 0.00 4.01 -0.61 -4.99 117.16 108.53 1xiv n TYR 73 Ca 0.10 0.87 -0.22 0.00 -0.16 0.00 0.00 57.90 58.49 1xiv n TYR 73 Cb 0.35 -4.35 -0.03 0.00 -0.31 0.00 0.00 39.34 35.00 1xiv n TYR 73 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1xiv s SER 74 N -3.19 4.88 -0.39 7.72 0.01 -0.61 -5.06 113.70 117.06 1xiv s SER 74 Ca 0.58 -0.89 0.09 0.00 1.31 0.00 0.00 55.95 57.04 1xiv s SER 74 Cb -0.28 -0.34 0.29 0.00 0.21 0.00 0.00 66.02 65.90 1xiv s SER 74 CO 0.72 -0.75 0.65 -3.20 0.41 0.00 0.00 173.24 171.07 1xiv n ASN 75 N -1.57 0.11 -4.38 2.44 5.15 -1.26 -4.69 115.26 111.06 1xiv n ASN 75 Ca 0.02 -2.89 -0.34 0.00 -0.60 0.00 0.00 54.58 50.77 1xiv n ASN 75 Cb 0.63 -0.36 -0.14 0.00 -0.53 0.00 0.00 39.78 39.38 1xiv n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xiv s LYS 77 N 0.64 4.39 -0.17 0.00 1.02 -1.26 -4.89 119.74 119.47 1xiv s LYS 77 Ca -0.05 2.03 -0.01 0.00 0.02 0.00 0.00 55.97 57.96 1xiv s LYS 77 Cb -0.15 -3.04 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1xiv s LYS 77 CO 0.03 -0.09 -0.03 0.08 -0.92 0.00 0.00 175.35 174.42 1xiv s VAL 78 N -1.19 0.93 0.11 3.17 1.01 -1.26 -0.54 120.40 122.63 1xiv s VAL 78 Ca 0.49 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1xiv s VAL 78 Cb -0.36 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1xiv s VAL 78 CO 0.47 0.05 -0.18 -0.94 0.00 0.00 0.00 175.10 174.49 1xiv s SER 79 N 1.70 2.33 0.31 3.32 1.04 -0.67 -4.62 113.70 117.11 1xiv s SER 79 Ca 0.00 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.76 1xiv s SER 79 Cb -0.16 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1xiv s SER 79 CO -0.07 -0.01 0.45 -0.83 0.98 0.00 0.00 173.24 173.76 1xiv s GLY 80 N -2.05 1.39 -0.24 7.32 0.00 -1.26 -0.51 107.32 111.97 1xiv s GLY 80 Ca 0.06 -1.25 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 1xiv s GLY 80 CO 0.04 -1.20 0.69 -0.45 0.00 0.00 0.00 173.10 172.17 1xiv s SER 81 N -4.07 -0.71 -0.08 1.64 0.15 -0.32 -4.81 113.70 105.50 1xiv s SER 81 Ca 0.40 1.32 0.12 0.00 0.70 0.00 0.00 55.95 58.49 1xiv s SER 81 Cb -0.09 1.32 0.28 0.00 -1.71 0.00 0.00 66.02 65.82 1xiv s SER 81 CO 0.31 -0.27 1.20 0.59 1.20 0.00 0.00 173.24 176.27 1xiv n ASN 83 N 2.53 2.75 -4.24 5.45 5.03 -1.26 -1.57 115.26 123.96 1xiv n ASN 83 Ca -0.14 -2.58 -0.35 0.00 0.87 0.00 0.00 54.58 52.38 1xiv n ASN 83 Cb 0.55 -0.31 -0.14 0.00 -1.02 0.00 0.00 39.78 38.86 1xiv n ASN 83 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xiv s THR 84 N -2.01 3.05 0.52 3.41 2.01 -1.26 -4.92 115.64 116.44 1xiv s THR 84 Ca 0.25 -0.83 0.19 0.00 0.31 0.00 0.00 61.69 61.61 1xiv s THR 84 Cb 0.19 -2.48 0.27 0.00 0.01 0.00 0.00 72.50 70.49 1xiv s THR 84 CO 0.06 0.29 2.15 1.88 -0.69 0.00 0.00 174.62 178.30 1xiv h TYR 85 N 8.06 0.00 0.00 4.92 -1.99 -1.97 -2.02 116.97 123.96 1xiv h TYR 85 Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 1xiv h TYR 85 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1xiv h TYR 85 CO 0.57 0.03 0.00 -0.25 -0.00 0.00 0.00 178.16 178.51 1xiv n ASP 86 N -4.35 0.66 0.00 3.88 10.43 -1.26 -1.14 116.55 124.77 1xiv n ASP 86 Ca -0.03 0.72 0.05 0.00 2.57 0.00 0.00 54.79 58.10 1xiv n ASP 86 Cb 0.11 -0.83 0.24 0.00 1.84 0.00 0.00 41.12 42.48 1xiv n ASP 86 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1xiv n ASP 87 N -2.28 0.00 0.29 -2.24 8.00 -0.76 -1.60 116.55 117.95 1xiv n ASP 87 Ca 0.01 0.18 0.19 0.00 0.71 0.00 0.00 54.79 55.88 1xiv n ASP 87 Cb 0.15 -0.31 0.90 0.00 -0.02 0.00 0.00 41.12 41.85 1xiv n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1xiv h LEU 88 N 0.00 0.00 -9.57 0.64 3.38 -1.34 -3.45 115.31 104.96 1xiv h LEU 88 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1xiv h LEU 88 Cb 0.10 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.93 1xiv h LEU 88 CO 0.00 0.00 0.58 0.00 0.09 0.00 0.00 178.44 179.11 1xiv n ALA 89 N -2.05 0.97 -0.98 1.53 0.00 -0.63 -1.31 120.51 118.04 1xiv n ALA 89 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1xiv n ALA 89 Cb 0.18 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1xiv n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xiv n GLY 90 N 2.11 0.82 3.75 0.00 0.00 -1.24 -5.00 105.19 105.62 1xiv n GLY 90 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1xiv n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xiv s ALA 91 N -3.31 3.59 -0.10 4.61 0.00 -0.43 -4.61 121.76 121.51 1xiv s ALA 91 Ca 0.00 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1xiv s ALA 91 Cb 0.00 -3.53 -0.24 0.00 0.00 0.00 0.00 23.12 19.34 1xiv s ALA 91 CO 0.00 -0.71 0.43 -0.25 0.00 0.00 0.00 175.76 175.24 1xiv n ASP 92 N 2.04 1.50 -4.00 0.00 9.92 0.14 -4.27 116.55 121.87 1xiv n ASP 92 Ca 0.05 0.26 -0.20 0.00 -0.53 0.00 0.00 54.79 54.38 1xiv n ASP 92 Cb 0.41 -0.41 -0.15 0.00 -0.64 0.00 0.00 41.12 40.32 1xiv n ASP 92 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xiv s VAL 93 N -2.57 0.73 -0.09 2.53 1.01 -1.06 -1.27 120.40 119.68 1xiv s VAL 93 Ca -0.15 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1xiv s VAL 93 Cb 0.07 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1xiv s VAL 93 CO 0.78 0.22 -0.13 -0.69 0.00 0.00 0.00 175.10 175.28 1xiv s VAL 94 N 0.07 1.32 -0.22 2.92 1.01 -0.32 -0.80 120.40 124.38 1xiv s VAL 94 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1xiv s VAL 94 Cb -0.07 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.13 1xiv s VAL 94 CO 0.00 0.40 -0.14 -0.63 0.00 0.00 0.00 175.10 174.73 1xiv s ILE 95 N 0.94 2.20 -0.38 2.22 1.01 -0.24 -1.01 121.20 125.93 1xiv s ILE 95 Ca -0.09 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.17 1xiv s ILE 95 Cb -0.15 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1xiv s ILE 95 CO -0.00 0.25 0.26 -0.69 0.00 0.00 0.00 174.94 174.76 1xiv s VAL 96 N 1.21 5.11 -0.64 2.92 1.01 0.46 -0.66 120.40 129.80 1xiv s VAL 96 Ca -0.02 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1xiv s VAL 96 Cb -0.17 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1xiv s VAL 96 CO -0.09 -0.19 0.50 0.35 0.00 0.00 0.00 175.10 175.67 1xiv n THR 97 N 5.11 0.00 -1.75 3.92 -2.24 -0.41 -0.35 114.28 118.55 1xiv n THR 97 Ca -0.12 -0.39 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 1xiv n THR 97 Cb 0.48 1.07 0.02 0.00 -2.10 0.00 0.00 70.33 69.80 1xiv n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xiv n ALA 98 N -0.54 1.86 0.00 6.98 0.00 -0.86 -4.61 120.51 123.35 1xiv n ALA 98 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1xiv n ALA 98 Cb 0.16 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1xiv n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xiv n GLY 99 N 0.64 3.94 3.77 0.00 0.00 -1.26 -4.71 105.19 107.58 1xiv n GLY 99 Ca 0.07 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1xiv n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xiv s PHE 100 N -2.00 3.08 -0.10 1.61 0.40 -1.26 -5.08 117.98 114.63 1xiv s PHE 100 Ca 0.00 1.55 -0.00 0.00 -0.60 0.00 0.00 56.93 57.88 1xiv s PHE 100 Cb 0.00 -3.40 0.02 0.00 0.51 0.00 0.00 43.02 40.16 1xiv s PHE 100 CO 0.00 -1.30 -0.06 0.95 0.70 0.00 0.00 175.22 175.50 1xiv s THR 101 N -1.40 0.89 0.00 0.64 -4.23 -1.26 -4.93 115.64 105.35 1xiv s THR 101 Ca 0.56 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1xiv s THR 101 Cb -0.31 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.60 1xiv s THR 101 CO 0.39 0.34 0.00 -1.14 -0.54 0.00 0.00 174.62 173.67 1xiv n ARG 109 N 4.93 0.00 0.29 3.99 3.00 -1.26 -5.13 116.66 122.47 1xiv n ARG 109 Ca -0.12 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.87 1xiv n ARG 109 Cb 0.50 0.00 0.85 0.00 0.00 0.00 0.00 32.46 33.81 1xiv n ARG 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1xiv h ASP 110 N 0.00 0.00 0.10 6.15 3.32 -2.03 -2.21 116.42 121.75 1xiv h ASP 110 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1xiv h ASP 110 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xiv h ASP 110 CO 0.00 0.04 -0.08 0.44 -1.72 0.00 0.00 179.24 177.92 1xiv h ASP 111 N 0.00 0.00 1.30 6.45 3.45 -2.03 -1.84 116.42 123.75 1xiv h ASP 111 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xiv h ASP 111 Cb 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1xiv h ASP 111 CO 0.00 0.08 0.00 -0.07 -1.57 0.00 0.00 179.24 177.69 1xiv h LEU 112 N 0.00 0.00 0.04 1.55 3.38 -1.80 -3.37 115.31 115.11 1xiv h LEU 112 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xiv h LEU 112 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1xiv h LEU 112 CO 0.01 0.00 -0.27 -0.07 0.09 0.00 0.00 178.44 178.20 1xiv h LEU 113 N 0.00 -0.79 -1.44 1.67 3.38 -1.48 -0.42 115.31 116.23 1xiv h LEU 113 Ca 0.00 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xiv h LEU 113 Cb 0.65 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1xiv h LEU 113 CO 0.00 -0.34 0.04 1.55 0.09 0.00 0.00 178.44 179.78 1xiv h PRO 114 N -0.44 0.41 -0.24 1.13 0.13 -1.73 -0.42 132.00 130.84 1xiv h PRO 114 Ca 0.05 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1xiv h PRO 114 Cb 0.50 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1xiv h PRO 114 CO -0.20 0.41 0.09 -0.07 -0.23 0.00 0.00 178.00 178.00 1xiv h LEU 115 N 0.41 0.34 -0.75 1.56 3.38 -1.63 -2.45 115.31 116.17 1xiv h LEU 115 Ca 0.10 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1xiv h LEU 115 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1xiv h LEU 115 CO 0.00 0.43 -0.55 0.78 0.09 0.00 0.00 178.44 179.19 1xiv h ASN 116 N 0.24 0.00 -0.57 -0.43 2.35 -0.81 -2.60 115.58 113.75 1xiv h ASN 116 Ca 0.08 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1xiv h ASN 116 Cb 0.19 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 1xiv h ASN 116 CO -0.01 0.55 0.33 -1.13 -1.65 0.00 0.00 177.43 175.52 1xiv h ASN 117 N 0.00 0.51 -0.49 5.81 -1.24 -0.95 -1.02 115.58 118.20 1xiv h ASN 117 Ca -0.01 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1xiv h ASN 117 Cb 1.07 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 40.00 1xiv h ASN 117 CO 0.07 0.35 0.27 0.11 -1.29 0.00 0.00 177.43 176.95 1xiv h LYS 118 N 0.64 0.71 -0.36 6.67 1.79 -1.07 0.38 116.57 125.33 1xiv h LYS 118 Ca 0.24 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 1xiv h LYS 118 Cb 0.08 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1xiv h LYS 118 CO -0.13 0.53 -0.06 0.82 -1.08 0.00 0.00 179.45 179.54 1xiv h ILE 119 N 0.72 1.27 -0.57 1.86 2.04 -1.18 -2.06 117.51 119.59 1xiv h ILE 119 Ca 0.18 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1xiv h ILE 119 Cb 0.04 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1xiv h ILE 119 CO -0.03 0.36 0.28 0.24 0.00 0.00 0.00 178.15 179.00 1xiv h MET 120 N 0.47 0.80 -0.13 2.37 2.86 -0.47 -0.49 114.93 120.35 1xiv h MET 120 Ca 0.09 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xiv h MET 120 Cb 0.55 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1xiv h MET 120 CO 0.03 0.62 0.07 0.82 1.06 0.00 0.00 176.91 179.51 1xiv h ILE 121 N 0.80 1.09 0.03 -1.22 2.04 -0.75 0.12 117.51 119.62 1xiv h ILE 121 Ca 0.20 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xiv h ILE 121 Cb 0.08 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1xiv h ILE 121 CO -0.03 0.08 -0.01 -0.08 0.00 0.00 0.00 178.15 178.11 1xiv h GLU 122 N 0.11 -0.04 -0.68 2.37 4.81 -1.05 -1.58 114.58 118.52 1xiv h GLU 122 Ca 0.04 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1xiv h GLU 122 Cb 0.07 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1xiv h GLU 122 CO -0.01 0.02 0.18 0.82 -0.73 0.00 0.00 179.01 179.29 1xiv h ILE 123 N -0.08 1.25 -0.69 2.32 2.04 -1.04 -2.77 117.51 118.54 1xiv h ILE 123 Ca -0.00 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1xiv h ILE 123 Cb 0.07 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1xiv h ILE 123 CO 0.01 0.35 0.33 1.23 0.00 0.00 0.00 178.15 180.07 1xiv h GLY 124 N 1.07 1.07 1.03 5.37 0.00 -0.72 0.18 103.07 111.06 1xiv h GLY 124 Ca 0.22 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xiv h GLY 124 CO -0.00 0.51 0.53 -1.33 0.00 0.00 0.00 176.54 176.24 1xiv h GLY 125 N 0.96 1.36 1.56 4.60 0.00 -1.07 -1.15 103.07 109.33 1xiv h GLY 125 Ca 0.24 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1xiv h GLY 125 CO -0.03 0.57 -0.48 0.45 0.00 0.00 0.00 176.54 177.05 1xiv h HIS 126 N 1.28 0.58 -0.44 5.60 -0.00 -1.14 -2.35 115.15 118.69 1xiv h HIS 126 Ca 0.33 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 1xiv h HIS 126 Cb -0.01 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1xiv h HIS 126 CO 0.01 0.87 0.08 0.82 -0.00 0.00 0.00 177.93 179.70 1xiv h ILE 127 N 0.38 1.24 -0.73 2.45 2.04 -0.62 -0.56 117.51 121.71 1xiv h ILE 127 Ca 0.02 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1xiv h ILE 127 Cb 0.98 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1xiv h ILE 127 CO 0.09 0.30 0.37 0.50 0.00 0.00 0.00 178.15 179.41 1xiv h LYS 128 N 0.58 1.04 -0.10 2.37 3.64 -1.08 -0.35 116.57 122.67 1xiv h LYS 128 Ca 0.13 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1xiv h LYS 128 Cb 0.36 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1xiv h LYS 128 CO 0.01 0.80 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.63 1xiv h LYS 129 N 1.02 0.27 0.00 1.90 1.63 -1.32 -3.37 116.57 116.70 1xiv h LYS 129 Ca 0.25 -0.16 -0.36 0.00 -0.85 0.00 0.00 60.65 59.53 1xiv h LYS 129 Cb 0.09 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.66 1xiv h LYS 129 CO -0.04 0.72 -2.37 0.09 -3.45 0.00 0.00 179.45 174.40 1xiv n ASN 130 N -4.60 0.23 -2.90 4.20 3.02 -0.23 -4.78 115.26 110.20 1xiv n ASN 130 Ca -0.07 -0.01 -0.12 0.00 -0.03 0.00 0.00 54.58 54.35 1xiv n ASN 130 Cb 0.36 0.89 0.04 0.00 -0.61 0.00 0.00 39.78 40.47 1xiv n ASN 130 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xiv h PRO 132 N 2.93 0.00 -0.54 0.00 0.13 -1.60 -1.73 132.00 131.19 1xiv h PRO 132 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1xiv h PRO 132 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1xiv h PRO 132 CO 0.28 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.14 1xiv n ASN 132 N -3.00 3.17 -4.81 1.44 5.03 -1.26 -4.79 115.26 111.04 1xiv n ASN 132 Ca -0.02 -1.98 -0.33 0.00 0.87 0.00 0.00 54.58 53.13 1xiv n ASN 132 Cb 0.13 -0.36 -0.00 0.00 -1.02 0.00 0.00 39.78 38.53 1xiv n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xiv s ALA 133 N -1.28 2.80 -0.16 5.41 0.00 -0.65 -4.98 121.76 122.90 1xiv s ALA 133 Ca 0.40 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 1xiv s ALA 133 Cb 0.21 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1xiv s ALA 133 CO 0.28 -0.67 0.39 0.12 0.00 0.00 0.00 175.76 175.88 1xiv s PHE 134 N -2.41 3.45 -0.15 0.00 5.36 -0.40 -4.90 117.98 118.93 1xiv s PHE 134 Ca 0.63 0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 57.29 1xiv s PHE 134 Cb -0.15 -2.47 -0.01 0.00 -0.34 0.00 0.00 43.02 40.04 1xiv s PHE 134 CO 0.34 0.13 -0.10 0.42 -1.46 0.00 0.00 175.22 174.55 1xiv s ILE 135 N 0.81 3.21 -0.17 3.12 -1.09 -0.06 -1.17 121.20 125.85 1xiv s ILE 135 Ca 0.20 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1xiv s ILE 135 Cb -0.14 -2.38 0.01 0.00 -1.58 0.00 0.00 42.46 38.37 1xiv s ILE 135 CO 0.07 0.50 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.49 1xiv s ILE 136 N 0.55 2.41 -0.16 2.92 1.01 -0.18 -1.29 121.20 126.46 1xiv s ILE 136 Ca -0.07 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1xiv s ILE 136 Cb -0.15 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1xiv s ILE 136 CO 0.03 0.52 0.09 -0.69 0.00 0.00 0.00 174.94 174.89 1xiv s VAL 137 N 1.13 5.04 -0.03 2.92 1.01 -0.28 -0.41 120.40 129.78 1xiv s VAL 137 Ca 0.01 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1xiv s VAL 137 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1xiv s VAL 137 CO -0.07 0.52 0.00 0.52 0.00 0.00 0.00 175.10 176.07 1xiv n VAL 138 N 2.95 0.22 -1.61 2.92 0.31 0.53 -1.39 118.33 122.26 1xiv n VAL 138 Ca -0.18 -0.13 -0.53 0.00 -0.01 0.00 0.00 64.34 63.49 1xiv n VAL 138 Cb 0.53 -0.88 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 1xiv n VAL 138 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1xiv n THR 139 N -2.19 0.05 -3.28 2.52 -1.04 -1.15 -4.60 114.28 104.59 1xiv n THR 139 Ca -0.05 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.62 1xiv n THR 139 Cb 0.60 -0.84 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 1xiv n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1xiv s ASN 140 N 0.95 6.71 -0.14 8.00 0.01 -1.26 -2.83 114.94 126.38 1xiv s ASN 140 Ca 0.87 1.10 -0.29 0.00 -0.71 0.00 0.00 52.86 53.83 1xiv s ASN 140 Cb -0.99 -2.30 -0.01 0.00 0.41 0.00 0.00 41.25 38.36 1xiv s ASN 140 CO 0.50 -0.13 1.09 -2.16 -1.51 0.00 0.00 177.10 174.90 1xiv s PRO 141 N -2.84 4.34 0.24 -0.60 0.04 -1.26 -4.96 135.00 129.96 1xiv s PRO 141 Ca 0.50 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 1xiv s PRO 141 Cb -0.11 -3.60 0.24 0.00 0.04 0.00 0.00 34.50 31.08 1xiv s PRO 141 CO 0.19 -0.48 1.90 0.28 0.04 0.00 0.00 177.00 178.94 1xiv h VAL 142 N 5.22 1.20 0.00 -0.36 2.07 -1.78 -1.33 116.25 121.28 1xiv h VAL 142 Ca -0.28 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1xiv h VAL 142 Cb 1.12 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1xiv h VAL 142 CO 0.91 0.22 -0.22 0.44 0.02 0.00 0.00 177.57 178.94 1xiv h ASP 143 N 1.20 0.00 0.01 0.57 3.32 -1.90 0.54 116.42 120.16 1xiv h ASP 143 Ca 0.34 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1xiv h ASP 143 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1xiv h ASP 143 CO -0.09 0.22 -0.01 0.58 -1.72 0.00 0.00 179.24 178.22 1xiv h VAL 144 N 0.00 1.04 -0.26 -1.35 2.07 -1.66 -3.35 116.25 112.74 1xiv h VAL 144 Ca -0.00 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.73 1xiv h VAL 144 Cb 0.57 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1xiv h VAL 144 CO 0.03 0.35 -0.09 0.24 0.02 0.00 0.00 177.57 178.11 1xiv h MET 145 N -0.99 0.41 -0.76 1.57 2.86 -0.84 -1.75 114.93 115.44 1xiv h MET 145 Ca -0.00 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1xiv h MET 145 Cb 0.58 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1xiv h MET 145 CO 0.00 0.52 0.30 -0.24 1.06 0.00 0.00 176.91 178.55 1xiv h VAL 146 N 0.39 1.25 -0.31 -2.22 3.04 -1.09 -1.36 116.25 115.95 1xiv h VAL 146 Ca 0.08 -0.80 -0.18 0.00 -1.01 0.00 0.00 66.70 64.79 1xiv h VAL 146 Cb 0.41 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.04 1xiv h VAL 146 CO 0.02 0.32 -0.50 -0.61 -1.01 0.00 0.00 177.57 175.80 1xiv h GLN 147 N 1.10 0.88 -0.30 4.17 4.15 -1.48 0.27 115.11 123.90 1xiv h GLN 147 Ca 0.25 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1xiv h GLN 147 Cb 0.21 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1xiv h GLN 147 CO -0.02 1.16 0.19 -0.07 -1.93 0.00 0.00 178.83 178.17 1xiv h LEU 148 N 0.69 0.35 -1.01 -2.39 3.38 -1.18 -0.95 115.31 114.20 1xiv h LEU 148 Ca 0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xiv h LEU 148 Cb 1.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1xiv h LEU 148 CO 0.11 0.26 0.02 0.25 0.09 0.00 0.00 178.44 179.17 1xiv h LEU 149 N 0.40 0.69 -0.35 1.67 5.85 -1.13 -0.63 115.31 121.81 1xiv h LEU 149 Ca 0.11 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1xiv h LEU 149 Cb -0.03 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1xiv h LEU 149 CO -0.02 0.75 0.04 -0.74 -0.34 0.00 0.00 178.44 178.13 1xiv h HIS 150 N 0.69 0.07 -0.58 1.25 2.76 -0.49 0.75 115.15 119.59 1xiv h HIS 150 Ca 0.14 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1xiv h HIS 150 Cb 0.40 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 1xiv h HIS 150 CO 0.02 -0.01 0.12 1.96 -1.30 0.00 0.00 177.93 178.72 1xiv h GLN 151 N 0.15 0.95 0.00 5.26 4.20 -0.62 -2.39 115.11 122.66 1xiv h GLN 151 Ca 0.17 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 1xiv h GLN 151 Cb 0.20 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1xiv h GLN 151 CO -0.24 0.89 -0.76 0.45 -0.67 0.00 0.00 178.83 178.50 1xiv h HIS 152 N 0.85 0.00 0.00 2.96 3.86 -0.89 -3.33 115.15 118.60 1xiv h HIS 152 Ca 0.18 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.24 1xiv h HIS 152 Cb 0.38 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 1xiv h HIS 152 CO 0.03 0.48 -1.25 0.66 0.86 0.00 0.00 177.93 178.70 1xiv h SER 153 N 0.00 0.00 0.00 2.45 4.64 -0.83 -3.33 113.55 116.48 1xiv h SER 153 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1xiv h SER 153 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1xiv h SER 153 CO 0.05 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1xiv n GLY 154 N 1.36 0.57 3.79 -0.77 0.00 -0.90 -4.00 105.19 105.23 1xiv n GLY 154 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1xiv n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xiv s VAL 155 N -2.43 3.56 0.76 1.61 -7.23 -1.26 -5.00 120.40 110.42 1xiv s VAL 155 Ca 0.00 0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 60.72 1xiv s VAL 155 Cb 0.00 -3.23 0.06 0.00 0.56 0.00 0.00 36.38 33.77 1xiv s VAL 155 CO 0.00 -0.48 1.18 -2.84 -0.31 0.00 0.00 175.10 172.64 1xiv s PRO 156 N -4.25 1.99 0.53 4.82 0.02 -1.26 -4.90 135.00 131.95 1xiv s PRO 156 Ca 0.64 1.65 0.27 0.00 0.02 0.00 0.00 61.00 63.58 1xiv s PRO 156 Cb -0.18 -1.83 1.47 0.00 0.02 0.00 0.00 34.50 33.99 1xiv s PRO 156 CO 0.42 -1.92 2.09 1.57 -0.33 0.00 0.00 177.00 178.83 1xiv h LYS 157 N -0.62 0.00 -0.01 5.54 2.10 -1.94 -0.81 116.57 120.83 1xiv h LYS 157 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1xiv h LYS 157 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1xiv h LYS 157 CO 0.49 0.11 0.00 0.27 -2.00 0.00 0.00 179.45 178.31 1xiv n ASN 158 N -3.73 0.64 -0.22 7.07 6.94 -1.26 -3.90 115.26 120.81 1xiv n ASN 158 Ca -0.02 -1.23 0.02 0.00 -0.02 0.00 0.00 54.58 53.33 1xiv n ASN 158 Cb 0.21 -0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.68 1xiv n ASN 158 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1xiv n LYS 159 N -0.49 2.91 -3.76 -3.83 4.76 -0.31 -0.45 118.16 117.00 1xiv n LYS 159 Ca 0.21 -1.68 -0.14 0.00 -2.87 0.00 0.00 58.31 53.84 1xiv n LYS 159 Cb 0.21 -1.09 -0.15 0.00 -1.84 0.00 0.00 35.03 32.16 1xiv n LYS 159 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1xiv s ILE 160 N -0.99 -0.05 0.15 -0.18 2.07 -1.25 -0.88 121.20 120.08 1xiv s ILE 160 Ca 0.08 0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 1xiv s ILE 160 Cb 0.04 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.38 1xiv s ILE 160 CO 0.05 0.07 0.00 0.27 -1.91 0.00 0.00 174.94 173.43 1xiv s ILE 161 N 1.08 0.54 0.06 2.00 -4.36 -0.41 -4.76 121.20 115.34 1xiv s ILE 161 Ca -0.08 -1.95 0.06 0.00 -0.26 0.00 0.00 60.65 58.41 1xiv s ILE 161 Cb -0.11 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 1xiv s ILE 161 CO -0.05 -0.54 -0.12 -0.83 0.24 0.00 0.00 174.94 173.64 1xiv s GLY 162 N -3.12 1.70 0.25 6.27 0.00 -0.42 -1.13 107.32 110.87 1xiv s GLY 162 Ca 0.22 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1xiv s GLY 162 CO 0.02 -1.09 1.36 -2.27 0.00 0.00 0.00 173.10 171.12 1xiv s LEU 163 N -1.73 4.41 0.00 0.66 2.96 -0.49 -1.34 118.68 123.15 1xiv s LEU 163 Ca 0.18 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 1xiv s LEU 163 Cb -0.11 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1xiv s LEU 163 CO 0.09 -0.60 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 1xiv n GLY 164 N 1.99 -2.09 0.27 7.98 0.00 -1.26 -4.77 105.19 107.31 1xiv n GLY 164 Ca 0.05 0.65 0.03 0.00 0.00 0.00 0.00 46.02 46.75 1xiv n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xiv h GLY 165 N 0.00 0.39 0.99 -0.02 0.00 -1.76 -0.63 103.07 102.04 1xiv h GLY 165 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1xiv h GLY 165 CO 0.00 0.18 0.17 -2.08 0.00 0.00 0.00 176.54 174.81 1xiv h VAL 166 N 0.36 1.24 0.07 4.60 2.07 -1.81 -0.06 116.25 122.71 1xiv h VAL 166 Ca 0.09 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1xiv h VAL 166 Cb 0.17 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1xiv h VAL 166 CO -0.00 0.30 -0.03 0.25 0.02 0.00 0.00 177.57 178.10 1xiv h LEU 167 N 0.76 -0.08 -0.52 2.57 5.85 -1.66 -2.23 115.31 120.00 1xiv h LEU 167 Ca 0.18 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1xiv h LEU 167 Cb 0.28 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1xiv h LEU 167 CO -0.01 0.34 0.21 0.44 -0.34 0.00 0.00 178.44 179.09 1xiv h ASP 168 N -0.52 0.72 0.96 1.25 3.45 -1.08 -2.25 116.42 118.95 1xiv h ASP 168 Ca -0.01 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 1xiv h ASP 168 Cb 0.45 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1xiv h ASP 168 CO 0.02 0.69 -0.14 0.71 -1.57 0.00 0.00 179.24 178.95 1xiv h THR 169 N 0.70 0.34 -0.71 0.35 1.35 -1.08 -2.78 112.91 111.10 1xiv h THR 169 Ca 0.17 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1xiv h THR 169 Cb 0.19 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 1xiv h THR 169 CO -0.01 0.13 0.45 0.77 -0.25 0.00 0.00 175.52 176.61 1xiv h SER 170 N 0.00 0.82 0.24 5.36 4.64 -0.76 0.30 113.55 124.16 1xiv h SER 170 Ca -0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1xiv h SER 170 Cb 0.65 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1xiv h SER 170 CO 0.02 0.61 -0.12 0.03 -0.87 0.00 0.00 176.83 176.50 1xiv h ARG 171 N 0.96 -0.32 0.05 4.77 -0.00 -1.48 -0.72 114.38 117.65 1xiv h ARG 171 Ca 0.26 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.77 1xiv h ARG 171 Cb -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 29.95 1xiv h ARG 171 CO -0.05 -0.05 -0.08 1.25 0.00 0.00 0.00 179.97 181.04 1xiv h LEU 172 N -0.57 -0.21 -0.46 3.04 5.85 -1.44 -0.24 115.31 121.29 1xiv h LEU 172 Ca -0.03 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1xiv h LEU 172 Cb 0.42 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1xiv h LEU 172 CO 0.06 -0.12 0.15 0.11 -0.34 0.00 0.00 178.44 178.30 1xiv h LYS 173 N -0.16 0.31 0.05 1.25 1.57 -1.00 -2.21 116.57 116.39 1xiv h LYS 173 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xiv h LYS 173 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xiv h LYS 173 CO -0.04 0.20 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.10 1xiv h TYR 174 N 0.32 -0.06 -0.78 -1.35 3.20 -0.77 -0.87 116.97 116.65 1xiv h TYR 174 Ca 0.22 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1xiv h TYR 174 Cb 0.23 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 1xiv h TYR 174 CO -0.17 0.06 0.50 1.88 -1.64 0.00 0.00 178.16 178.79 1xiv h TYR 175 N -0.17 0.93 -0.55 -3.82 0.99 -0.99 -1.39 116.97 111.97 1xiv h TYR 175 Ca -0.01 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.67 1xiv h TYR 175 Cb 0.15 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.55 1xiv h TYR 175 CO -0.04 0.54 0.03 0.82 -0.00 0.00 0.00 178.16 179.51 1xiv h ILE 176 N 0.97 1.26 -0.31 -2.88 2.04 -1.33 -2.86 117.51 114.40 1xiv h ILE 176 Ca 0.31 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1xiv h ILE 176 Cb 0.00 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1xiv h ILE 176 CO -0.11 0.38 0.15 0.77 0.00 0.00 0.00 178.15 179.35 1xiv h SER 177 N 0.84 0.38 -0.20 1.72 4.64 -0.40 -1.24 113.55 119.30 1xiv h SER 177 Ca 0.16 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 1xiv h SER 177 Cb 0.50 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1xiv h SER 177 CO 0.02 0.33 -0.55 1.56 -0.87 0.00 0.00 176.83 177.32 1xiv h GLN 178 N 0.43 0.79 -0.71 4.77 1.08 -1.11 -0.26 115.11 120.11 1xiv h GLN 178 Ca 0.11 -0.50 -0.07 0.00 -1.45 0.00 0.00 58.65 56.75 1xiv h GLN 178 Cb 0.05 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1xiv h GLN 178 CO -0.02 1.13 0.18 -0.22 -0.95 0.00 0.00 178.83 178.96 1xiv h LYS 179 N 0.61 1.13 -0.01 1.46 1.63 -1.20 -3.21 116.57 116.97 1xiv h LYS 179 Ca 0.01 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1xiv h LYS 179 Cb 1.14 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1xiv h LYS 179 CO 0.12 0.99 -0.25 1.28 -3.45 0.00 0.00 179.45 178.14 1xiv n LEU 180 N -4.25 1.24 -3.71 5.20 4.77 -0.52 -4.96 117.00 114.77 1xiv n LEU 180 Ca 0.05 -0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 55.45 1xiv n LEU 180 Cb 0.25 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1xiv n LEU 180 CO 0.42 0.23 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.43 1xiv n ASN 181 N -0.44 -1.13 -4.39 -1.43 5.15 -0.14 -5.02 115.26 107.86 1xiv n ASN 181 Ca 0.13 -0.83 -0.20 0.00 -0.60 0.00 0.00 54.58 53.08 1xiv n ASN 181 Cb 0.37 -4.02 -0.10 0.00 -0.53 0.00 0.00 39.78 35.50 1xiv n ASN 181 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xiv s VAL 182 N -3.68 1.72 0.07 3.44 -7.23 -1.00 -5.07 120.40 108.66 1xiv s VAL 182 Ca 0.00 -2.18 -0.34 0.00 -1.81 0.00 0.00 61.98 57.65 1xiv s VAL 182 Cb -0.00 -2.23 -0.13 0.00 0.56 0.00 0.00 36.38 34.57 1xiv s VAL 182 CO 0.81 -0.46 1.66 0.00 -0.31 0.00 0.00 175.10 176.81 1xiv h PRO 184 N 6.85 0.28 0.00 0.00 0.11 -1.90 -0.80 132.00 136.54 1xiv h PRO 184 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xiv h PRO 184 Cb 1.27 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xiv h PRO 184 CO 0.90 0.18 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.77 1xiv h ARG 185 N 0.29 0.00 0.00 1.05 9.65 -1.92 -1.95 114.38 121.50 1xiv h ARG 185 Ca 0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.34 1xiv h ARG 185 Cb 0.82 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1xiv h ARG 185 CO -0.54 0.01 0.00 -0.25 2.80 0.00 0.00 179.97 182.00 1xiv n ASP 186 N -3.24 0.00 -4.73 -3.80 8.00 -0.30 -4.58 116.55 107.91 1xiv n ASP 186 Ca -0.02 0.21 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 1xiv n ASP 186 Cb 0.13 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 1xiv n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xiv s VAL 187 N -2.78 5.21 0.11 2.53 1.01 -0.73 -4.24 120.40 121.50 1xiv s VAL 187 Ca 0.18 0.86 0.10 0.00 0.00 0.00 0.00 61.98 63.13 1xiv s VAL 187 Cb 0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1xiv s VAL 187 CO 0.42 0.35 -0.24 0.21 0.00 0.00 0.00 175.10 175.84 1xiv s ASN 188 N 0.53 3.47 -0.03 3.32 3.84 -0.28 -4.84 114.94 120.94 1xiv s ASN 188 Ca 0.24 -0.66 -0.29 0.00 0.21 0.00 0.00 52.86 52.36 1xiv s ASN 188 Cb -0.15 -0.33 0.10 0.00 -0.55 0.00 0.00 41.25 40.32 1xiv s ASN 188 CO 0.09 0.20 0.84 0.00 -2.79 0.00 0.00 177.10 175.43 1xiv s ALA 189 N -1.04 -1.81 -0.09 1.71 0.00 -1.26 -1.17 121.76 118.10 1xiv s ALA 189 Ca 0.15 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1xiv s ALA 189 Cb -0.10 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1xiv s ALA 189 CO 0.06 -0.54 -0.17 -1.01 0.00 0.00 0.00 175.76 174.11 1xiv s HIS 190 N -2.30 2.01 -0.09 0.00 3.76 -1.25 -4.93 115.29 112.48 1xiv s HIS 190 Ca -0.00 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 1xiv s HIS 190 Cb -0.01 -1.41 0.02 0.00 1.11 0.00 0.00 32.58 32.29 1xiv s HIS 190 CO -0.03 -0.40 -0.09 0.42 -0.85 0.00 0.00 174.74 173.78 1xiv s ILE 191 N 0.69 1.04 0.40 0.60 1.01 -1.26 -2.24 121.20 121.43 1xiv s ILE 191 Ca -0.13 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1xiv s ILE 191 Cb -0.16 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1xiv s ILE 191 CO 0.03 0.35 0.15 0.68 0.00 0.00 0.00 174.94 176.15 1xiv s VAL 192 N 1.22 0.51 0.00 2.92 -7.23 -0.64 -4.63 120.40 112.54 1xiv s VAL 192 Ca -0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1xiv s VAL 192 Cb -0.14 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1xiv s VAL 192 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1xiv n GLY 193 N -0.87 2.00 3.29 2.32 0.00 -0.28 -1.27 105.19 110.38 1xiv n GLY 193 Ca -0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1xiv n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xiv s ALA 194 N -0.14 -0.80 0.62 4.61 0.00 -1.26 -1.53 121.76 123.26 1xiv s ALA 194 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1xiv s ALA 194 Cb 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1xiv s ALA 194 CO 0.00 -0.59 1.03 -1.58 0.00 0.00 0.00 175.76 174.63 1xiv s HIS 195 N -3.61 3.46 0.00 0.00 2.46 -1.26 -3.68 115.29 112.66 1xiv s HIS 195 Ca 0.02 1.35 0.00 0.00 0.47 0.00 0.00 55.06 56.90 1xiv s HIS 195 Cb 0.02 -2.78 0.00 0.00 -0.13 0.00 0.00 32.58 29.69 1xiv s HIS 195 CO -0.10 -0.79 0.00 0.41 -2.47 0.00 0.00 174.74 171.79 1xiv n GLY 196 N -2.33 -3.05 0.21 1.59 0.00 -1.26 -4.50 105.19 95.84 1xiv n GLY 196 Ca 0.07 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 44.17 1xiv n GLY 196 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xiv h ASN 197 N 0.00 0.00 -0.69 1.61 4.21 -1.91 -0.89 115.58 117.91 1xiv h ASN 197 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1xiv h ASN 197 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1xiv h ASN 197 CO 0.00 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.43 1xiv n LYS 198 N -2.53 3.19 -1.66 0.81 4.76 -1.26 -4.98 118.16 116.48 1xiv n LYS 198 Ca -0.01 -2.72 -0.43 0.00 -2.87 0.00 0.00 58.31 52.28 1xiv n LYS 198 Cb 0.12 -1.73 -0.01 0.00 -1.84 0.00 0.00 35.03 31.58 1xiv n LYS 198 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xiv n MET 199 N 1.38 1.82 -3.49 1.97 0.00 -0.34 -4.47 117.12 113.99 1xiv n MET 199 Ca 0.25 0.64 -0.42 0.00 0.00 0.00 0.00 57.70 58.16 1xiv n MET 199 Cb 0.75 -2.15 -0.10 0.00 0.00 0.00 0.00 33.22 31.71 1xiv n MET 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1xiv s VAL 200 N -1.10 5.15 -0.33 3.17 1.01 -0.40 -4.94 120.40 122.96 1xiv s VAL 200 Ca 0.57 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1xiv s VAL 200 Cb -0.61 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1xiv s VAL 200 CO 0.61 -0.26 0.50 -0.76 0.00 0.00 0.00 175.10 175.19 1xiv s LEU 201 N 1.66 4.29 -0.74 3.92 1.02 -1.26 -1.62 118.68 125.95 1xiv s LEU 201 Ca 0.05 0.05 -0.15 0.00 0.02 0.00 0.00 54.13 54.10 1xiv s LEU 201 Cb -0.19 -2.58 0.18 0.00 0.02 0.00 0.00 46.19 43.63 1xiv s LEU 201 CO 0.09 -0.43 0.72 -0.76 0.02 0.00 0.00 176.35 175.99 1xiv s LEU 202 N 2.35 6.40 0.35 1.79 1.43 -0.95 -4.91 118.68 125.14 1xiv s LEU 202 Ca 0.19 -2.32 0.10 0.00 -1.03 0.00 0.00 54.13 51.06 1xiv s LEU 202 Cb -0.16 -2.23 0.85 0.00 0.03 0.00 0.00 46.19 44.68 1xiv s LEU 202 CO 0.13 -0.72 1.83 0.50 0.23 0.00 0.00 176.35 178.32 1xiv h LYS 203 N 8.24 0.64 0.00 1.70 3.64 -1.95 -1.32 116.57 127.52 1xiv h LYS 203 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1xiv h LYS 203 Cb 1.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1xiv h LYS 203 CO 0.88 0.42 0.00 -0.09 -2.27 0.00 0.00 179.45 178.39 1xiv h ARG 204 N 0.66 0.00 -0.53 1.90 2.43 -1.98 -3.03 114.38 113.84 1xiv h ARG 204 Ca 0.50 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.55 1xiv h ARG 204 Cb 0.89 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.37 1xiv h ARG 204 CO -0.26 0.00 0.11 0.66 -1.51 0.00 0.00 179.97 178.98 1xiv n TYR 205 N -3.02 1.79 -3.68 2.20 4.02 -0.50 -4.94 117.16 113.03 1xiv n TYR 205 Ca -0.01 -1.09 -0.36 0.00 -0.01 0.00 0.00 57.90 56.44 1xiv n TYR 205 Cb 0.21 -0.53 -0.07 0.00 -0.02 0.00 0.00 39.34 38.93 1xiv n TYR 205 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1xiv s ILE 206 N -2.95 5.38 0.13 -0.72 1.01 -1.15 -3.92 121.20 118.98 1xiv s ILE 206 Ca 0.50 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.52 1xiv s ILE 206 Cb 0.40 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1xiv s ILE 206 CO 0.11 0.45 -0.09 0.42 0.00 0.00 0.00 174.94 175.83 1xiv s THR 207 N 0.15 1.05 -0.24 2.92 -4.23 -0.32 -1.65 115.64 113.32 1xiv s THR 207 Ca 0.12 -2.03 0.17 0.00 -1.18 0.00 0.00 61.69 58.77 1xiv s THR 207 Cb -0.12 -1.80 0.48 0.00 1.34 0.00 0.00 72.50 72.40 1xiv s THR 207 CO 0.01 -0.78 1.15 0.52 -0.54 0.00 0.00 174.62 174.98 1xiv n VAL 208 N -0.15 1.66 0.00 2.29 0.31 -1.26 -1.13 118.33 120.05 1xiv n VAL 208 Ca -0.11 -3.23 0.00 0.00 -0.01 0.00 0.00 64.34 60.99 1xiv n VAL 208 Cb 0.61 0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 1xiv n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xiv n GLY 209 N -0.58 0.00 3.83 2.92 0.00 -1.26 -4.77 105.19 105.34 1xiv n GLY 209 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1xiv n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xiv s ILE 209 N -0.08 5.35 0.26 -0.61 1.01 -1.26 -5.05 121.20 120.82 1xiv s ILE 209 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 1xiv s ILE 209 Cb 0.00 -3.34 -0.13 0.00 0.01 0.00 0.00 42.46 39.00 1xiv s ILE 209 CO 0.00 0.59 1.46 -2.65 0.00 0.00 0.00 174.94 174.34 1xiv n PRO 209 N 2.26 2.26 -0.02 2.79 -0.02 -1.26 -4.28 135.00 136.72 1xiv n PRO 209 Ca -0.19 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1xiv n PRO 209 Cb 0.54 -2.49 0.59 0.00 -0.02 0.00 0.00 33.50 32.12 1xiv n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xiv h LEU 210 N 4.28 0.18 -1.87 2.45 5.85 -1.64 -1.76 115.31 122.80 1xiv h LEU 210 Ca -0.46 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.39 1xiv h LEU 210 Cb 1.26 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1xiv h LEU 210 CO 0.76 0.11 0.36 -0.61 -0.34 0.00 0.00 178.44 178.71 1xiv h GLN 210 N 0.20 0.13 -0.85 1.25 5.75 -1.88 0.08 115.11 119.80 1xiv h GLN 210 Ca 0.25 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.71 1xiv h GLN 210 Cb 0.72 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 1xiv h GLN 210 CO -0.04 0.09 0.39 0.93 -2.65 0.00 0.00 178.83 177.55 1xiv h GLU 211 N 0.14 1.23 -0.14 1.69 5.08 -1.68 0.83 114.58 121.72 1xiv h GLU 211 Ca 0.24 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1xiv h GLU 211 Cb 0.78 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1xiv h GLU 211 CO -0.03 0.95 -0.34 0.74 -1.00 0.00 0.00 179.01 179.33 1xiv h PHE 212 N 1.21 0.33 -0.20 4.33 -1.00 -1.16 -1.69 116.94 118.76 1xiv h PHE 212 Ca 0.29 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.92 1xiv h PHE 212 Cb 0.14 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 1xiv h PHE 212 CO 0.02 0.60 -0.16 0.82 -1.61 0.00 0.00 178.31 177.98 1xiv h ILE 213 N 0.25 1.32 -0.81 -0.55 2.04 -0.76 -0.62 117.51 118.38 1xiv h ILE 213 Ca 0.03 -1.29 0.08 0.00 1.00 0.00 0.00 64.86 64.68 1xiv h ILE 213 Cb 0.72 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 38.45 1xiv h ILE 213 CO 0.06 0.39 0.48 0.78 0.00 0.00 0.00 178.15 179.85 1xiv h ASN 214 N 0.15 0.71 0.00 1.72 2.35 -0.72 -0.99 115.58 118.80 1xiv h ASN 214 Ca 0.04 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1xiv h ASN 214 Cb 0.68 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1xiv h ASN 214 CO 0.04 0.43 0.00 0.59 -1.65 0.00 0.00 177.43 176.85 1xiv n ASN 215 N -4.71 0.00 -1.54 5.81 3.02 -0.65 -4.92 115.26 112.28 1xiv n ASN 215 Ca 0.12 -1.24 -0.17 0.00 -0.03 0.00 0.00 54.58 53.26 1xiv n ASN 215 Cb 0.22 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 1xiv n ASN 215 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xiv n LYS 216 N -0.82 -1.26 0.18 3.52 5.02 -0.38 -4.87 118.16 119.56 1xiv n LYS 216 Ca 0.14 1.03 0.07 0.00 -2.02 0.00 0.00 58.31 57.53 1xiv n LYS 216 Cb 0.06 -5.34 0.16 0.00 -0.02 0.00 0.00 35.03 29.90 1xiv n LYS 216 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1xiv h LEU 218 N 0.00 0.00 -7.25 -0.35 3.38 -1.35 -3.45 115.31 106.29 1xiv h LEU 218 Ca -0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1xiv h LEU 218 Cb 1.19 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.70 1xiv h LEU 218 CO 0.51 0.28 -0.17 -0.51 0.09 0.00 0.00 178.44 178.64 1xiv s ILE 219 N -3.17 -0.00 0.31 1.22 2.07 -1.19 -4.84 121.20 115.60 1xiv s ILE 219 Ca 0.04 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.34 1xiv s ILE 219 Cb 0.07 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 1xiv s ILE 219 CO 0.70 0.00 0.45 -0.94 -1.91 0.00 0.00 174.94 173.23 1xiv s SER 220 N 0.30 6.09 0.24 4.50 1.04 -1.26 -3.93 113.70 120.68 1xiv s SER 220 Ca -0.00 -0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.31 1xiv s SER 220 Cb -0.03 -1.47 0.32 0.00 0.10 0.00 0.00 66.02 64.94 1xiv s SER 220 CO -0.00 -0.32 1.85 0.44 0.98 0.00 0.00 173.24 176.19 1xiv h ASP 221 N 0.95 0.83 -0.69 7.02 3.32 -1.99 -1.30 116.42 124.57 1xiv h ASP 221 Ca -0.48 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1xiv h ASP 221 Cb 1.25 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1xiv h ASP 221 CO 0.56 0.54 0.22 0.00 -1.72 0.00 0.00 179.24 178.84 1xiv h ALA 222 N 1.40 0.90 -0.96 3.45 0.00 -1.99 -0.68 119.26 121.38 1xiv h ALA 222 Ca 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xiv h ALA 222 Cb 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1xiv h ALA 222 CO -0.17 0.58 0.60 0.93 0.00 0.00 0.00 179.25 181.19 1xiv h GLU 223 N 1.01 1.29 -0.22 0.00 5.08 -1.87 -2.36 114.58 117.51 1xiv h GLU 223 Ca 0.22 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1xiv h GLU 223 Cb 0.29 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xiv h GLU 223 CO -0.01 0.89 -0.45 1.25 -1.00 0.00 0.00 179.01 179.69 1xiv h LEU 225 N 1.32 0.58 -0.59 1.33 5.85 -0.42 -0.84 115.31 122.54 1xiv h LEU 225 Ca 0.35 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1xiv h LEU 225 Cb -0.09 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1xiv h LEU 225 CO -0.07 0.95 0.34 -0.33 -0.34 0.00 0.00 178.44 178.99 1xiv h GLU 226 N 0.44 0.64 -0.71 1.25 4.39 -0.96 0.16 114.58 119.78 1xiv h GLU 226 Ca 0.03 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1xiv h GLU 226 Cb 0.95 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1xiv h GLU 226 CO 0.08 0.42 0.24 0.00 -1.16 0.00 0.00 179.01 178.60 1xiv h ALA 227 N 1.28 0.92 -0.71 3.43 0.00 -1.13 -1.94 119.26 121.12 1xiv h ALA 227 Ca 0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xiv h ALA 227 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1xiv h ALA 227 CO -0.13 0.59 0.28 0.82 0.00 0.00 0.00 179.25 180.81 1xiv h ILE 228 N 1.03 1.24 -0.18 0.00 2.04 -0.38 -1.10 117.51 120.17 1xiv h ILE 228 Ca 0.23 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1xiv h ILE 228 Cb 0.28 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1xiv h ILE 228 CO -0.01 0.31 0.11 -0.26 0.00 0.00 0.00 178.15 178.30 1xiv h PHE 229 N 1.03 0.23 -0.68 1.37 -1.00 -0.39 -0.09 116.94 117.41 1xiv h PHE 229 Ca 0.24 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.98 1xiv h PHE 229 Cb 0.20 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 1xiv h PHE 229 CO 0.02 0.17 0.27 -0.44 -1.61 0.00 0.00 178.31 176.72 1xiv h ASP 230 N 0.23 0.92 -0.47 2.17 3.32 -1.11 -1.98 116.42 119.51 1xiv h ASP 230 Ca 0.06 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1xiv h ASP 230 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1xiv h ASP 230 CO -0.01 0.83 0.05 -0.09 -1.72 0.00 0.00 179.24 178.29 1xiv h ARG 231 N 0.99 0.86 0.02 3.56 2.43 -0.88 -1.46 114.38 119.89 1xiv h ARG 231 Ca 0.23 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xiv h ARG 231 Cb 0.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1xiv h ARG 231 CO -0.02 0.83 -0.01 1.15 -1.51 0.00 0.00 179.97 180.41 1xiv h THR 232 N 0.81 1.14 -0.77 0.20 2.02 -0.51 -1.33 112.91 114.47 1xiv h THR 232 Ca 0.16 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1xiv h THR 232 Cb 0.42 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1xiv h THR 232 CO 0.01 0.12 0.50 0.58 0.37 0.00 0.00 175.52 177.11 1xiv h VAL 233 N -0.23 1.15 -0.41 3.16 2.07 -1.20 -2.93 116.25 117.86 1xiv h VAL 233 Ca -0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1xiv h VAL 233 Cb 0.22 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1xiv h VAL 233 CO 0.00 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.37 1xiv n ASN 234 N -4.58 3.52 -0.13 0.57 3.02 -0.56 -4.58 115.26 112.51 1xiv n ASN 234 Ca 0.08 -2.38 -0.10 0.00 -0.03 0.00 0.00 54.58 52.15 1xiv n ASN 234 Cb 0.05 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.70 1xiv n ASN 234 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1xiv h THR 235 N 2.65 1.25 -0.57 3.41 2.02 -1.05 0.18 112.91 120.81 1xiv h THR 235 Ca 0.00 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.34 1xiv h THR 235 Cb 1.16 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 1xiv h THR 235 CO 0.20 0.30 0.27 0.00 0.37 0.00 0.00 175.52 176.67 1xiv h ALA 236 N 0.91 0.74 -0.58 6.16 0.00 -1.84 -0.19 119.26 124.45 1xiv h ALA 236 Ca 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xiv h ALA 236 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1xiv h ALA 236 CO 0.01 -0.09 0.21 1.25 0.00 0.00 0.00 179.25 180.63 1xiv h LEU 237 N 0.51 0.83 -0.70 0.00 5.85 -1.76 -0.85 115.31 119.19 1xiv h LEU 237 Ca 0.26 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1xiv h LEU 237 Cb 0.21 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1xiv h LEU 237 CO -0.20 0.79 0.41 -0.08 -0.34 0.00 0.00 178.44 179.02 1xiv h GLU 238 N 0.81 0.75 -0.37 1.25 4.81 -0.27 -0.78 114.58 120.78 1xiv h GLU 238 Ca 0.19 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1xiv h GLU 238 Cb 0.25 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1xiv h GLU 238 CO -0.01 0.50 -0.42 0.82 -0.73 0.00 0.00 179.01 179.17 1xiv h ILE 239 N 0.77 1.27 -0.71 2.32 2.04 -0.72 -2.32 117.51 120.17 1xiv h ILE 239 Ca 0.30 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1xiv h ILE 239 Cb 0.13 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1xiv h ILE 239 CO -0.16 0.53 0.37 0.58 0.00 0.00 0.00 178.15 179.48 1xiv h VAL 240 N 0.75 1.22 0.00 1.67 2.07 -0.78 -2.12 116.25 119.07 1xiv h VAL 240 Ca 0.05 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1xiv h VAL 240 Cb 1.02 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1xiv h VAL 240 CO 0.10 0.25 0.00 0.78 0.02 0.00 0.00 177.57 178.72 1xiv h ASN 241 N 0.97 0.00 -0.12 0.57 2.35 -1.05 -1.46 115.58 116.85 1xiv h ASN 241 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1xiv h ASN 241 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1xiv h ASN 241 CO -0.04 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.92 1xiv n LEU 242 N -3.05 0.66 -1.73 1.61 4.77 -0.84 -4.85 117.00 113.56 1xiv n LEU 242 Ca 0.01 -0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 55.54 1xiv n LEU 242 Cb 0.30 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1xiv n LEU 242 CO 0.27 0.16 0.01 1.41 -1.33 0.00 0.00 177.39 177.91 1xiv n HIS 243 N -0.15 -1.07 -3.43 -1.77 8.25 -0.55 -5.01 115.22 111.49 1xiv n HIS 243 Ca 0.04 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1xiv n HIS 243 Cb 0.11 -2.87 0.00 0.00 1.12 0.00 0.00 29.99 28.35 1xiv n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xiv n ALA 244 N -2.80 0.00 -3.53 -1.41 0.00 -0.95 -5.06 120.51 106.76 1xiv n ALA 244 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1xiv n ALA 244 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 1xiv n ALA 244 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xiv s SER 245 N 0.15 -0.48 -0.29 0.00 0.15 -1.26 -3.77 113.70 108.20 1xiv s SER 245 Ca 0.00 0.37 -0.29 0.00 0.70 0.00 0.00 55.95 56.74 1xiv s SER 245 Cb 0.00 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1xiv s SER 245 CO 0.00 -0.55 1.04 -2.84 1.20 0.00 0.00 173.24 172.10 1xiv s PRO 246 N -1.82 4.12 0.00 5.44 0.02 -1.26 -4.75 135.00 136.74 1xiv s PRO 246 Ca -0.03 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.12 1xiv s PRO 246 Cb -0.00 -3.71 0.00 0.00 0.02 0.00 0.00 34.50 30.81 1xiv s PRO 246 CO 0.00 -0.80 0.00 2.48 -0.33 0.00 0.00 177.00 178.35 1xiv n TYR 247 N 6.65 0.00 0.06 6.54 4.11 -1.26 -4.82 117.16 128.45 1xiv n TYR 247 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.89 1xiv n TYR 247 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.72 1xiv n TYR 247 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1xiv h VAL 248 N 0.00 1.04 -0.48 -3.48 2.07 -1.92 -2.27 116.25 111.21 1xiv h VAL 248 Ca 0.00 -0.88 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1xiv h VAL 248 Cb 0.03 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1xiv h VAL 248 CO 0.00 0.20 -0.23 0.00 0.02 0.00 0.00 177.57 177.56 1xiv h ALA 249 N 0.16 0.67 -0.56 1.67 0.00 -1.97 -1.37 119.26 117.86 1xiv h ALA 249 Ca -0.02 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1xiv h ALA 249 Cb 0.47 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1xiv h ALA 249 CO 0.03 0.68 0.18 -1.35 0.00 0.00 0.00 179.25 178.79 1xiv h PRO 250 N 0.86 0.34 -0.49 0.00 0.11 -1.88 -0.87 132.00 130.08 1xiv h PRO 250 Ca 0.11 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.22 1xiv h PRO 250 Cb 0.81 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1xiv h PRO 250 CO 0.07 0.22 0.29 0.00 -0.21 0.00 0.00 178.00 178.38 1xiv h ALA 251 N 1.39 0.62 -0.68 -0.75 0.00 -1.06 -1.30 119.26 117.48 1xiv h ALA 251 Ca 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1xiv h ALA 251 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xiv h ALA 251 CO -0.30 -0.01 0.13 0.00 0.00 0.00 0.00 179.25 179.07 1xiv h ALA 252 N 1.21 0.93 -0.35 0.00 0.00 -0.93 -0.89 119.26 119.24 1xiv h ALA 252 Ca 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xiv h ALA 252 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xiv h ALA 252 CO -0.08 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.05 1xiv h ALA 253 N 1.08 0.44 -0.79 0.00 0.00 -0.86 -0.59 119.26 118.55 1xiv h ALA 253 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xiv h ALA 253 Cb 0.42 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1xiv h ALA 253 CO 0.01 -0.07 0.43 0.82 0.00 0.00 0.00 179.25 180.45 1xiv h ILE 254 N 0.46 1.23 -0.01 0.00 2.04 -0.85 -2.25 117.51 118.13 1xiv h ILE 254 Ca 0.13 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 1xiv h ILE 254 Cb -0.01 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1xiv h ILE 254 CO -0.02 0.26 -0.56 0.40 0.00 0.00 0.00 178.15 178.22 1xiv h ILE 255 N 1.09 1.40 -0.82 -0.67 1.08 -0.88 0.23 117.51 118.95 1xiv h ILE 255 Ca 0.28 -1.92 -0.00 0.00 -0.39 0.00 0.00 64.86 62.83 1xiv h ILE 255 Cb 0.03 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 1xiv h ILE 255 CO -0.04 0.55 0.51 -0.08 -0.69 0.00 0.00 178.15 178.39 1xiv h GLU 256 N 0.02 1.10 -0.09 2.37 4.81 -0.75 0.19 114.58 122.24 1xiv h GLU 256 Ca -0.00 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1xiv h GLU 256 Cb 1.00 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1xiv h GLU 256 CO 0.07 0.76 0.01 0.52 -0.73 0.00 0.00 179.01 179.64 1xiv h MET 257 N 1.11 0.15 -0.80 1.92 2.86 -0.82 -2.03 114.93 117.32 1xiv h MET 257 Ca 0.29 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1xiv h MET 257 Cb -0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1xiv h MET 257 CO -0.06 0.39 0.34 0.00 1.06 0.00 0.00 176.91 178.64 1xiv h ALA 258 N 0.76 1.10 -0.67 6.32 0.00 -0.71 -2.46 119.26 123.59 1xiv h ALA 258 Ca 0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1xiv h ALA 258 Cb 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xiv h ALA 258 CO 0.00 0.66 0.18 1.49 0.00 0.00 0.00 179.25 181.58 1xiv h GLU 259 N 1.15 1.06 -1.01 0.00 4.81 -0.58 -0.68 114.58 119.34 1xiv h GLU 259 Ca 0.27 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1xiv h GLU 259 Cb 0.18 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1xiv h GLU 259 CO -0.03 0.94 0.67 1.03 -0.73 0.00 0.00 179.01 180.89 1xiv h SER 260 N 0.99 1.14 0.47 1.04 0.87 -0.90 -0.60 113.55 116.55 1xiv h SER 260 Ca 0.21 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1xiv h SER 260 Cb 0.34 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1xiv h SER 260 CO -0.00 0.81 -0.22 0.22 -0.53 0.00 0.00 176.83 177.10 1xiv h TYR 261 N 1.33 -0.58 -0.54 2.24 3.20 -1.20 -0.82 116.97 120.61 1xiv h TYR 261 Ca 0.38 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 1xiv h TYR 261 Cb -0.10 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1xiv h TYR 261 CO -0.00 -0.27 0.23 -0.07 -1.64 0.00 0.00 178.16 176.41 1xiv h LEU 262 N -0.83 0.70 -2.33 2.82 3.38 -0.83 -2.73 115.31 115.49 1xiv h LEU 262 Ca -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xiv h LEU 262 Cb 0.57 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xiv h LEU 262 CO 0.11 0.62 0.00 0.29 0.09 0.00 0.00 178.44 179.55 1xiv n LYS 263 N -4.35 2.44 -3.79 1.13 5.02 -0.26 -4.98 118.16 113.37 1xiv n LYS 263 Ca 0.04 -2.23 -0.23 0.00 -2.02 0.00 0.00 58.31 53.87 1xiv n LYS 263 Cb 0.15 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1xiv n LYS 263 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xiv n ASP 264 N 1.41 -1.17 0.16 4.39 2.03 -0.82 -4.90 116.55 117.65 1xiv n ASP 264 Ca 0.18 -0.87 0.03 0.00 0.52 0.00 0.00 54.79 54.66 1xiv n ASP 264 Cb 0.58 -3.75 0.15 0.00 -0.72 0.00 0.00 41.12 37.38 1xiv n ASP 264 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1xiv h LEU 265 N -1.87 0.00 0.51 -2.67 3.38 -1.35 -3.45 115.31 109.86 1xiv h LEU 265 Ca -0.61 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 56.95 1xiv h LEU 265 Cb 1.36 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.17 1xiv h LEU 265 CO 0.59 0.47 -0.63 0.29 0.09 0.00 0.00 178.44 179.26 1xiv n LYS 266 N -3.34 -5.40 -2.07 1.13 5.02 -0.49 -4.98 118.16 108.04 1xiv n LYS 266 Ca 0.01 0.84 -0.38 0.00 -2.02 0.00 0.00 58.31 56.76 1xiv n LYS 266 Cb 0.65 -5.73 0.01 0.00 -0.02 0.00 0.00 35.03 29.94 1xiv n LYS 266 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xiv s LYS 267 N -5.90 3.57 -0.32 1.97 1.02 -1.21 -4.62 119.74 114.25 1xiv s LYS 267 Ca 0.39 1.98 -0.23 0.00 0.02 0.00 0.00 55.97 58.13 1xiv s LYS 267 Cb -0.18 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1xiv s LYS 267 CO 0.48 -0.77 0.76 0.08 -0.92 0.00 0.00 175.35 174.99 1xiv s VAL 268 N -1.43 4.80 -0.01 3.17 1.01 -1.26 -1.51 120.40 125.18 1xiv s VAL 268 Ca 0.65 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1xiv s VAL 268 Cb -0.34 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 31.92 1xiv s VAL 268 CO 0.41 -0.27 0.00 -0.76 0.00 0.00 0.00 175.10 174.48 1xiv s LEU 269 N 2.94 1.64 -0.19 3.92 1.43 -0.11 -4.94 118.68 123.36 1xiv s LEU 269 Ca 0.31 -0.00 -0.25 0.00 -1.03 0.00 0.00 54.13 53.16 1xiv s LEU 269 Cb -0.14 -0.07 -0.01 0.00 0.03 0.00 0.00 46.19 46.00 1xiv s LEU 269 CO 0.13 -0.04 0.83 -0.63 0.23 0.00 0.00 176.35 176.87 1xiv s ILE 270 N 0.41 4.86 0.10 -0.59 1.01 -1.26 -1.26 121.20 124.48 1xiv s ILE 270 Ca -0.04 1.61 -0.04 0.00 0.00 0.00 0.00 60.65 62.19 1xiv s ILE 270 Cb -0.05 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1xiv s ILE 270 CO -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 174.94 175.01 1xiv s SER 272 N -2.95 7.21 0.09 0.00 0.15 -0.45 -1.76 113.70 115.98 1xiv s SER 272 Ca 0.13 1.77 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 1xiv s SER 272 Cb 0.06 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1xiv s SER 272 CO -0.05 -0.41 0.24 0.28 1.20 0.00 0.00 173.24 174.50 1xiv s THR 273 N 1.40 0.12 -0.01 6.45 -1.32 -0.71 -1.30 115.64 120.28 1xiv s THR 273 Ca 0.54 -1.00 -0.30 0.00 -1.21 0.00 0.00 61.69 59.72 1xiv s THR 273 Cb -0.24 -1.23 -0.07 0.00 -1.51 0.00 0.00 72.50 69.45 1xiv s THR 273 CO 0.26 -0.55 1.66 -0.22 -2.21 0.00 0.00 174.62 173.56 1xiv s LEU 274 N -2.71 4.34 0.04 9.08 2.96 -1.26 -1.76 118.68 129.37 1xiv s LEU 274 Ca 0.03 2.34 -0.20 0.00 -0.22 0.00 0.00 54.13 56.07 1xiv s LEU 274 Cb 0.03 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.12 1xiv s LEU 274 CO -0.10 -0.91 0.59 -0.76 -1.32 0.00 0.00 176.35 173.85 1xiv s LEU 275 N 3.58 4.48 -0.27 -0.68 1.43 -0.31 -4.98 118.68 121.93 1xiv s LEU 275 Ca 0.74 1.23 0.15 0.00 -1.03 0.00 0.00 54.13 55.22 1xiv s LEU 275 Cb -0.36 -2.93 0.48 0.00 0.03 0.00 0.00 46.19 43.42 1xiv s LEU 275 CO 0.31 0.19 1.15 -0.62 0.23 0.00 0.00 176.35 177.61 1xiv n GLU 276 N 2.21 2.63 0.00 1.70 1.02 -1.23 -2.82 120.64 124.14 1xiv n GLU 276 Ca -0.08 -3.80 0.00 0.00 -0.02 0.00 0.00 57.16 53.26 1xiv n GLU 276 Cb 0.51 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1xiv n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xiv n GLY 277 N -0.64 1.88 3.77 0.62 0.00 0.10 -4.92 105.19 106.00 1xiv n GLY 277 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1xiv n GLY 277 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xiv s GLN 278 N 0.00 4.18 -0.90 1.61 1.11 -1.22 -1.49 119.66 122.95 1xiv s GLN 278 Ca 0.00 2.47 0.00 0.00 0.01 0.00 0.00 55.36 57.84 1xiv s GLN 278 Cb 0.00 -3.01 0.00 0.00 -1.01 0.00 0.00 33.01 28.99 1xiv s GLN 278 CO 0.00 -0.45 0.00 0.66 0.01 0.00 0.00 175.29 175.51 1xiv n TYR 279 N 0.78 0.00 -0.82 0.91 4.01 -1.26 -1.58 117.16 119.20 1xiv n TYR 279 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1xiv n TYR 279 Cb 0.40 -2.37 0.00 0.00 -0.31 0.00 0.00 39.34 37.06 1xiv n TYR 279 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xiv n GLY 280 N -0.10 0.56 3.25 2.72 0.00 -0.55 -4.98 105.19 106.08 1xiv n GLY 280 Ca -0.08 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1xiv n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xiv s HIS 281 N -2.00 1.99 0.14 1.61 3.76 -0.61 -4.93 115.29 115.24 1xiv s HIS 281 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1xiv s HIS 281 Cb 0.00 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 1xiv s HIS 281 CO 0.00 -0.03 0.02 -1.12 -0.85 0.00 0.00 174.74 172.76 1xiv s SER 282 N -0.54 0.69 -1.39 1.40 0.01 -1.26 0.03 113.70 112.64 1xiv s SER 282 Ca 0.09 -1.17 -0.04 0.00 1.31 0.00 0.00 55.95 56.14 1xiv s SER 282 Cb -0.09 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1xiv s SER 282 CO -0.01 -0.65 0.51 0.47 0.41 0.00 0.00 173.24 173.98 1xiv n ASP 283 N -0.13 -5.62 -3.51 2.44 9.92 -1.13 -4.96 116.55 113.57 1xiv n ASP 283 Ca -0.07 -0.24 -0.14 0.00 -0.53 0.00 0.00 54.79 53.80 1xiv n ASP 283 Cb 0.63 -4.46 -0.04 0.00 -0.64 0.00 0.00 41.12 36.61 1xiv n ASP 283 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1xiv s ILE 285 N -3.10 0.01 -0.00 0.53 1.10 -1.26 -5.06 121.20 113.42 1xiv s ILE 285 Ca 0.25 -0.10 -0.06 0.00 -0.51 0.00 0.00 60.65 60.24 1xiv s ILE 285 Cb -0.11 -0.99 -0.05 0.00 0.15 0.00 0.00 42.46 41.46 1xiv s ILE 285 CO 0.31 -0.05 0.24 -0.36 -2.11 0.00 0.00 174.94 172.97 1xiv s PHE 286 N -2.52 3.57 0.23 3.50 0.40 -1.26 -1.17 117.98 120.74 1xiv s PHE 286 Ca -0.05 0.52 -0.18 0.00 -0.60 0.00 0.00 56.93 56.62 1xiv s PHE 286 Cb -0.01 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1xiv s PHE 286 CO -0.02 0.63 0.58 0.20 0.70 0.00 0.00 175.22 177.31 1xiv s GLY 287 N -1.72 -0.04 -0.07 4.36 0.00 -0.72 -4.86 107.32 104.27 1xiv s GLY 287 Ca 0.27 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.40 1xiv s GLY 287 CO 0.16 -0.23 1.07 -0.32 0.00 0.00 0.00 173.10 173.78 1xiv s GLY 288 N -2.90 2.35 0.02 0.20 0.00 -0.58 -1.74 107.32 104.66 1xiv s GLY 288 Ca 0.11 0.48 -0.25 0.00 0.00 0.00 0.00 44.72 45.06 1xiv s GLY 288 CO 0.01 1.98 0.58 -1.08 0.00 0.00 0.00 173.10 174.59 1xiv s THR 289 N 1.92 0.02 0.26 0.90 -1.32 -0.72 -1.12 115.64 115.56 1xiv s THR 289 Ca 0.51 -0.13 -0.31 0.00 -1.21 0.00 0.00 61.69 60.55 1xiv s THR 289 Cb -0.21 -0.97 -0.12 0.00 -1.51 0.00 0.00 72.50 69.69 1xiv s THR 289 CO 0.21 -0.07 1.60 -0.81 -2.21 0.00 0.00 174.62 173.34 1xiv n PRO 290 N 0.53 2.60 -4.34 7.08 -0.04 -1.26 -1.98 135.00 137.58 1xiv n PRO 290 Ca -0.19 0.93 -0.18 0.00 -0.04 0.00 0.00 63.50 64.03 1xiv n PRO 290 Cb 0.59 -2.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.24 1xiv n PRO 290 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xiv s VAL 291 N 0.35 1.03 -0.18 0.52 -7.23 -0.39 -1.01 120.40 113.49 1xiv s VAL 291 Ca 0.68 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 1xiv s VAL 291 Cb -0.53 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 1xiv s VAL 291 CO 0.44 -0.27 0.00 -0.69 -0.31 0.00 0.00 175.10 174.26 1xiv s VAL 292 N -3.42 4.10 -0.23 1.32 1.01 -0.52 -0.93 120.40 121.73 1xiv s VAL 292 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1xiv s VAL 292 Cb 0.06 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1xiv s VAL 292 CO 0.10 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 174.86 1xiv s LEU 293 N 0.69 3.02 0.00 3.92 1.43 -0.57 -0.56 118.68 126.60 1xiv s LEU 293 Ca -0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1xiv s LEU 293 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1xiv s LEU 293 CO 0.02 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1xiv n GLY 294 N 4.80 4.71 0.29 -3.19 0.00 -0.58 -1.39 105.19 109.82 1xiv n GLY 294 Ca -0.18 -1.02 0.16 0.00 0.00 0.00 0.00 46.02 44.99 1xiv n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xiv h ALA 295 N 1.31 1.15 -0.51 4.61 0.00 -1.80 -0.30 119.26 123.72 1xiv h ALA 295 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xiv h ALA 295 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xiv h ALA 295 CO 0.00 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1xiv n ASN 296 N -3.38 4.35 0.00 0.00 5.03 -1.26 -5.04 115.26 114.96 1xiv n ASN 296 Ca -0.02 -2.53 0.00 0.00 0.87 0.00 0.00 54.58 52.91 1xiv n ASN 296 Cb 0.21 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 1xiv n ASN 296 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xiv n GLY 297 N 0.79 0.79 3.55 7.41 0.00 -0.12 -4.58 105.19 113.03 1xiv n GLY 297 Ca 0.22 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 1xiv n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xiv s VAL 298 N 0.00 3.57 -0.05 1.61 1.01 0.41 -1.52 120.40 125.43 1xiv s VAL 298 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 61.98 62.45 1xiv s VAL 298 Cb 0.00 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 1xiv s VAL 298 CO 0.00 -1.37 1.32 -0.33 0.00 0.00 0.00 175.10 174.72 1xiv h GLU 299 N 12.25 0.00 -2.57 2.72 5.08 -1.08 -3.46 114.58 127.52 1xiv h GLU 299 Ca -0.27 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1xiv h GLU 299 Cb 1.10 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.11 1xiv h GLU 299 CO 1.24 0.68 -0.18 -0.65 -1.00 0.00 0.00 179.01 179.10 1xiv s GLN 301 N -2.85 0.53 -0.24 2.33 -0.21 -1.24 -4.99 119.66 112.99 1xiv s GLN 301 Ca 0.02 0.71 -0.09 0.00 0.02 0.00 0.00 55.36 56.02 1xiv s GLN 301 Cb 0.09 0.20 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 1xiv s GLN 301 CO 0.78 -0.09 0.13 0.08 -2.12 0.00 0.00 175.29 174.07 1xiv s VAL 302 N 0.55 5.04 -0.25 1.09 1.01 -1.26 -1.44 120.40 125.15 1xiv s VAL 302 Ca -0.02 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1xiv s VAL 302 Cb -0.04 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1xiv s VAL 302 CO -0.03 0.34 0.15 -0.63 0.00 0.00 0.00 175.10 174.93 1xiv s ILE 303 N 1.23 5.21 -0.35 2.22 1.01 -0.18 -5.01 121.20 125.32 1xiv s ILE 303 Ca 0.06 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 1xiv s ILE 303 Cb -0.14 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1xiv s ILE 303 CO 0.05 0.33 0.22 -0.70 0.00 0.00 0.00 174.94 174.84 1xiv s GLU 304 N 1.24 3.24 0.31 2.79 2.12 -1.26 -4.11 118.70 123.03 1xiv s GLU 304 Ca 0.07 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.30 1xiv s GLU 304 Cb -0.14 -3.77 -0.10 0.00 0.26 0.00 0.00 34.13 30.38 1xiv s GLU 304 CO 0.06 -0.54 1.31 -0.51 -0.54 0.00 0.00 175.26 175.03 1xiv s LEU 305 N 1.66 4.43 -1.44 2.70 1.43 -1.26 -4.90 118.68 121.30 1xiv s LEU 305 Ca 0.05 2.65 -0.14 0.00 -1.03 0.00 0.00 54.13 55.66 1xiv s LEU 305 Cb -0.18 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.45 1xiv s LEU 305 CO 0.09 -0.53 2.19 0.00 0.23 0.00 0.00 176.35 178.33 1xiv n GLN 306 N 1.04 2.94 -2.03 1.70 6.02 -1.26 -4.94 117.38 120.84 1xiv n GLN 306 Ca 0.01 -2.71 -0.39 0.00 -0.01 0.00 0.00 57.00 53.90 1xiv n GLN 306 Cb 0.42 -3.25 0.00 0.00 1.02 0.00 0.00 30.24 28.43 1xiv n GLN 306 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xiv s LEU 307 N 1.95 4.12 0.94 1.08 1.43 -1.26 -5.05 118.68 121.89 1xiv s LEU 307 Ca 0.46 2.62 -0.15 0.00 -1.03 0.00 0.00 54.13 56.03 1xiv s LEU 307 Cb 0.13 -4.02 0.18 0.00 0.03 0.00 0.00 46.19 42.52 1xiv s LEU 307 CO -0.08 -0.99 1.30 0.54 0.23 0.00 0.00 176.35 177.35 1xiv s ASN 308 N -0.87 3.30 0.30 2.29 2.20 -1.26 -4.82 114.94 116.09 1xiv s ASN 308 Ca 0.60 0.31 0.06 0.00 -0.94 0.00 0.00 52.86 52.90 1xiv s ASN 308 Cb -0.37 -0.41 0.46 0.00 -2.00 0.00 0.00 41.25 38.93 1xiv s ASN 308 CO 0.47 -2.62 1.72 0.77 -2.94 0.00 0.00 177.10 174.49 1xiv h SER 309 N -1.55 0.30 -0.40 3.54 4.64 -1.98 -0.37 113.55 117.72 1xiv h SER 309 Ca -0.44 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 60.63 1xiv h SER 309 Cb 1.25 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1xiv h SER 309 CO 0.41 0.65 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.43 1xiv h GLU 310 N 0.25 0.92 -0.30 4.77 3.07 -2.00 -1.51 114.58 119.78 1xiv h GLU 310 Ca 0.03 -0.40 -0.16 0.00 -0.50 0.00 0.00 59.36 58.33 1xiv h GLU 310 Cb 0.76 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1xiv h GLU 310 CO 0.06 1.06 -0.44 0.93 -1.40 0.00 0.00 179.01 179.22 1xiv h GLU 311 N 0.78 0.77 -0.70 2.33 5.08 -1.87 -2.88 114.58 118.10 1xiv h GLU 311 Ca 0.10 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1xiv h GLU 311 Cb 0.82 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1xiv h GLU 311 CO 0.07 1.06 0.26 -0.22 -1.00 0.00 0.00 179.01 179.18 1xiv h LYS 312 N 0.62 1.04 -0.84 2.33 3.64 -0.89 -1.57 116.57 120.90 1xiv h LYS 312 Ca 0.04 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1xiv h LYS 312 Cb 1.01 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 1xiv h LYS 312 CO 0.10 0.86 0.48 0.00 -2.27 0.00 0.00 179.45 178.61 1xiv h ALA 313 N 1.27 1.27 -0.60 5.00 0.00 -1.07 0.80 119.26 125.94 1xiv h ALA 313 Ca 0.23 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1xiv h ALA 313 Cb 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xiv h ALA 313 CO -0.02 0.61 -0.03 0.87 0.00 0.00 0.00 179.25 180.68 1xiv h LYS 314 N 1.16 1.07 -0.61 0.00 1.79 -1.27 -2.30 116.57 116.42 1xiv h LYS 314 Ca 0.30 -0.36 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1xiv h LYS 314 Cb -0.01 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1xiv h LYS 314 CO -0.05 1.06 0.39 0.35 -1.08 0.00 0.00 179.45 180.12 1xiv h PHE 315 N 0.97 0.73 -0.91 -1.35 3.57 -0.53 -2.41 116.94 117.01 1xiv h PHE 315 Ca 0.17 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1xiv h PHE 315 Cb 0.60 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1xiv h PHE 315 CO 0.04 0.44 0.55 -0.44 -2.23 0.00 0.00 178.31 176.68 1xiv h ASP 316 N 0.78 1.10 -0.77 0.41 3.32 -0.63 -1.59 116.42 119.04 1xiv h ASP 316 Ca 0.23 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1xiv h ASP 316 Cb -0.04 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 1xiv h ASP 316 CO -0.07 0.84 0.43 -0.33 -1.72 0.00 0.00 179.24 178.39 1xiv h GLU 317 N 1.26 1.08 -0.19 3.56 5.08 -0.99 -0.55 114.58 123.83 1xiv h GLU 317 Ca 0.33 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1xiv h GLU 317 Cb -0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1xiv h GLU 317 CO -0.06 0.79 0.06 0.00 -1.00 0.00 0.00 179.01 178.79 1xiv h ALA 318 N 1.38 0.25 -0.75 3.43 0.00 -0.89 -2.57 119.26 120.12 1xiv h ALA 318 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1xiv h ALA 318 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xiv h ALA 318 CO -0.04 -0.12 0.35 0.82 0.00 0.00 0.00 179.25 180.26 1xiv h ILE 319 N 0.13 1.24 -1.01 0.00 1.08 -1.11 -2.41 117.51 115.44 1xiv h ILE 319 Ca 0.06 -0.69 0.05 0.00 -0.39 0.00 0.00 64.86 63.89 1xiv h ILE 319 Cb 0.24 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 1xiv h ILE 319 CO -0.00 0.29 0.66 0.00 -0.69 0.00 0.00 178.15 178.41 1xiv h ALA 320 N 1.18 1.37 -0.35 1.87 0.00 -0.95 -0.97 119.26 121.40 1xiv h ALA 320 Ca 0.26 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1xiv h ALA 320 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xiv h ALA 320 CO -0.03 0.51 -0.23 1.49 0.00 0.00 0.00 179.25 180.99 1xiv h GLU 321 N 1.24 0.78 -0.39 0.00 4.57 -1.17 -0.57 114.58 119.04 1xiv h GLU 321 Ca 0.42 -0.37 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1xiv h GLU 321 Cb 0.07 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1xiv h GLU 321 CO -0.15 0.99 0.16 1.15 -1.18 0.00 0.00 179.01 179.98 1xiv h THR 322 N 0.56 0.92 -0.86 0.32 2.02 -0.94 -2.02 112.91 112.91 1xiv h THR 322 Ca 0.07 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1xiv h THR 322 Cb 0.79 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1xiv h THR 322 CO 0.06 0.06 0.56 0.11 0.37 0.00 0.00 175.52 176.68 1xiv h LYS 323 N 0.33 1.14 -0.19 6.66 1.57 -1.00 -0.18 116.57 124.90 1xiv h LYS 323 Ca 0.17 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1xiv h LYS 323 Cb 0.13 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1xiv h LYS 323 CO -0.16 0.77 0.08 -0.09 -0.57 0.00 0.00 179.45 179.48 1xiv h ARG 324 N 1.17 0.17 -0.16 3.15 2.43 -0.78 -2.04 114.38 118.33 1xiv h ARG 324 Ca 0.31 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1xiv h ARG 324 Cb -0.11 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1xiv h ARG 324 CO -0.07 0.12 -0.48 0.52 -1.51 0.00 0.00 179.97 178.55 1xiv h MET 325 N 0.18 0.42 -0.59 0.20 2.86 -1.18 -2.87 114.93 113.94 1xiv h MET 325 Ca 0.08 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1xiv h MET 325 Cb 0.03 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1xiv h MET 325 CO -0.07 0.81 0.28 -0.22 1.06 0.00 0.00 176.91 178.77 1xiv h LYS 326 N 0.33 0.83 -0.27 1.72 3.64 -0.75 -2.07 116.57 119.99 1xiv h LYS 326 Ca 0.02 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 1xiv h LYS 326 Cb 0.96 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1xiv h LYS 326 CO 0.08 0.64 -0.30 0.00 -2.27 0.00 0.00 179.45 177.60 1xiv h ALA 327 N 1.49 0.97 0.00 5.00 0.00 -1.16 -2.36 119.26 123.20 1xiv h ALA 327 Ca 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xiv h ALA 327 Cb 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xiv h ALA 327 CO -0.03 0.60 -0.15 -0.07 0.00 0.00 0.00 179.25 179.60 1xiv h LEU 328 N 0.48 0.00 -1.01 0.00 3.38 -1.30 -3.27 115.31 113.60 1xiv h LEU 328 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xiv h LEU 328 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1xiv h LEU 328 CO 0.06 0.15 -0.16 0.00 0.09 0.00 0.00 178.44 178.58 1xiv h ALA 329 N 1.85 0.99 -0.36 1.53 0.00 -0.83 -3.36 119.26 119.08 1xiv h ALA 329 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1xiv h ALA 329 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xiv h ALA 329 CO 0.02 0.20 -0.38 0.45 0.00 0.00 0.00 179.25 179.54 1xiv h HIS 330 N 0.00 1.08 -3.97 0.00 3.86 -1.63 -3.33 115.15 111.17 1xiv h HIS 330 Ca -0.00 -0.33 -0.36 0.00 -1.16 0.00 0.00 60.37 58.51 1xiv h HIS 330 Cb 0.76 -0.23 -0.22 0.00 1.06 0.00 0.00 27.41 28.78 1xiv h HIS 330 CO 0.00 1.15 -0.76 0.00 0.86 0.00 0.00 177.93 179.17 1xiv s ALA 331 N -4.37 0.92 -1.42 2.45 0.00 -1.26 -5.02 121.76 113.06 1xiv s ALA 331 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1xiv s ALA 331 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1xiv s ALA 331 CO 0.87 0.11 0.35 0.72 0.00 0.00 0.00 175.76 177.82