#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia5 s ILE 2 N 0.00 4.85 -0.37 1.12 1.01 0.95 -4.95 121.20 123.81 3ia5 s ILE 2 Ca 0.00 1.95 -0.16 0.00 0.00 0.00 0.00 60.65 62.43 3ia5 s ILE 2 Cb 0.00 -4.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 3ia5 s ILE 2 CO 0.00 0.09 0.42 -0.69 0.00 0.00 0.00 174.94 174.76 3ia5 s VAL 3 N 1.55 5.11 0.24 2.92 1.01 -1.26 -1.05 120.40 128.91 3ia5 s VAL 3 Ca 0.47 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.54 3ia5 s VAL 3 Cb -0.19 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3ia5 s VAL 3 CO 0.21 -0.22 -0.06 -0.44 0.00 0.00 0.00 175.10 174.59 3ia5 s SER 4 N 1.77 4.34 0.06 3.32 0.01 0.16 -0.25 113.70 123.11 3ia5 s SER 4 Ca 0.13 -0.66 0.07 0.00 1.31 0.00 0.00 55.95 56.80 3ia5 s SER 4 Cb -0.16 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.29 3ia5 s SER 4 CO 0.13 0.04 -0.19 -0.04 0.41 0.00 0.00 173.24 173.59 3ia5 s MET 5 N -3.37 1.16 -0.01 12.44 -1.94 -0.00 -0.12 119.30 127.46 3ia5 s MET 5 Ca 0.29 -0.96 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 3ia5 s MET 5 Cb -0.07 -1.28 -0.01 0.00 2.01 0.00 0.00 34.83 35.48 3ia5 s MET 5 CO 0.18 0.31 -0.10 -1.50 -0.01 0.00 0.00 175.02 173.91 3ia5 s ILE 6 N -0.95 0.75 0.11 2.53 2.07 -0.23 0.26 121.20 125.74 3ia5 s ILE 6 Ca 0.05 -0.43 -0.24 0.00 -1.41 0.00 0.00 60.65 58.62 3ia5 s ILE 6 Cb -0.09 -0.63 0.07 0.00 0.13 0.00 0.00 42.46 41.93 3ia5 s ILE 6 CO 0.02 0.20 0.61 0.00 -1.91 0.00 0.00 174.94 173.86 3ia5 s ALA 7 N -0.25 -1.60 -0.16 1.50 0.00 -0.69 -4.52 121.76 116.04 3ia5 s ALA 7 Ca 0.03 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 3ia5 s ALA 7 Cb -0.04 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3ia5 s ALA 7 CO -0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 175.76 174.95 3ia5 s ALA 8 N -3.19 2.57 0.03 0.00 0.00 -1.26 -1.07 121.76 118.84 3ia5 s ALA 8 Ca -0.02 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.98 3ia5 s ALA 8 Cb -0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3ia5 s ALA 8 CO -0.08 -0.01 -0.16 -0.48 0.00 0.00 0.00 175.76 175.03 3ia5 s LEU 9 N 0.78 2.15 0.00 0.00 0.05 0.20 -4.68 118.68 117.17 3ia5 s LEU 9 Ca -0.05 -0.44 -0.02 0.00 0.05 0.00 0.00 54.13 53.67 3ia5 s LEU 9 Cb -0.15 -0.73 0.05 0.00 -2.05 0.00 0.00 46.19 43.31 3ia5 s LEU 9 CO 0.01 0.09 0.35 0.00 -0.55 0.00 0.00 176.35 176.25 3ia5 n ALA 10 N 2.02 -0.14 -1.52 1.48 0.00 -0.42 -0.06 120.51 121.87 3ia5 n ALA 10 Ca -0.17 -0.59 -0.37 0.00 0.00 0.00 0.00 53.44 52.31 3ia5 n ALA 10 Cb 0.54 0.05 0.06 0.00 0.00 0.00 0.00 19.45 20.10 3ia5 n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ia5 n ASN 11 N -3.08 0.16 -2.03 0.00 3.02 0.01 -2.10 115.26 111.24 3ia5 n ASN 11 Ca 0.05 0.74 -0.19 0.00 -0.03 0.00 0.00 54.58 55.16 3ia5 n ASN 11 Cb 0.18 -1.33 -0.04 0.00 -0.61 0.00 0.00 39.78 37.98 3ia5 n ASN 11 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ia5 n ASN 12 N -0.66 -5.25 -0.86 6.41 3.02 -1.26 -2.92 115.26 113.74 3ia5 n ASN 12 Ca 0.13 0.22 -0.11 0.00 -0.03 0.00 0.00 54.58 54.79 3ia5 n ASN 12 Cb 0.48 -4.51 -0.05 0.00 -0.61 0.00 0.00 39.78 35.09 3ia5 n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ia5 n ARG 13 N -2.65 -1.03 -1.96 3.52 1.74 -0.89 -4.93 116.66 110.45 3ia5 n ARG 13 Ca -0.21 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.32 3ia5 n ARG 13 Cb 0.65 -4.93 -0.03 0.00 -1.02 0.00 0.00 32.46 27.13 3ia5 n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ia5 s VAL 14 N -2.30 2.80 0.00 1.55 1.01 -1.15 -0.99 120.40 121.34 3ia5 s VAL 14 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3ia5 s VAL 14 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3ia5 s VAL 14 CO 0.00 0.03 0.00 2.30 0.00 0.00 0.00 175.10 177.43 3ia5 n ILE 15 N 4.18 0.00 -3.61 2.22 -5.35 0.05 -1.31 119.36 115.54 3ia5 n ILE 15 Ca 0.14 -0.33 -0.11 0.00 -0.27 0.00 0.00 62.75 62.18 3ia5 n ILE 15 Cb 0.39 0.85 -0.04 0.00 -1.74 0.00 0.00 39.64 39.10 3ia5 n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ia5 s GLY 16 N -1.19 -0.31 -0.27 3.28 0.00 -0.87 -4.42 107.32 103.54 3ia5 s GLY 16 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.61 3ia5 s GLY 16 CO 0.00 -0.21 0.63 -2.27 0.00 0.00 0.00 173.10 171.26 3ia5 s LEU 17 N -2.81 -0.89 -1.45 0.66 2.96 0.34 -0.25 118.68 117.25 3ia5 s LEU 17 Ca 0.04 1.44 -0.06 0.00 -0.22 0.00 0.00 54.13 55.32 3ia5 s LEU 17 Cb 0.01 2.20 0.03 0.00 0.50 0.00 0.00 46.19 48.93 3ia5 s LEU 17 CO -0.11 -0.23 0.52 0.47 -1.32 0.00 0.00 176.35 175.69 3ia5 n ASP 18 N 4.64 -5.17 -1.50 3.68 8.00 -1.26 -0.50 116.55 124.44 3ia5 n ASP 18 Ca -0.18 -0.29 -0.19 0.00 0.71 0.00 0.00 54.79 54.84 3ia5 n ASP 18 Cb 0.56 -4.22 -0.07 0.00 -0.02 0.00 0.00 41.12 37.36 3ia5 n ASP 18 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ia5 n ASN 19 N -2.40 -5.27 -4.33 -2.24 3.02 -1.26 -5.00 115.26 97.78 3ia5 n ASN 19 Ca -0.08 0.42 -0.19 0.00 -0.03 0.00 0.00 54.58 54.70 3ia5 n ASN 19 Cb 0.59 -4.42 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 3ia5 n ASN 19 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3ia5 s LYS 20 N -3.70 1.28 -0.20 3.52 -2.85 0.35 -5.10 119.74 113.03 3ia5 s LYS 20 Ca 0.00 -1.51 -0.29 0.00 -1.00 0.00 0.00 55.97 53.17 3ia5 s LYS 20 Cb 0.00 -1.14 0.00 0.00 -2.06 0.00 0.00 37.83 34.64 3ia5 s LYS 20 CO 0.00 0.20 1.05 -1.64 0.10 0.00 0.00 175.35 175.06 3ia5 s MET 21 N -3.35 4.29 -1.61 1.78 -1.94 -1.26 -0.50 119.30 116.71 3ia5 s MET 21 Ca 0.19 1.38 -0.10 0.00 -1.71 0.00 0.00 55.69 55.46 3ia5 s MET 21 Cb -0.02 -3.63 -0.07 0.00 2.01 0.00 0.00 34.83 33.12 3ia5 s MET 21 CO 0.06 -0.57 2.89 -0.35 -0.01 0.00 0.00 175.02 177.05 3ia5 n PRO 22 N 6.06 3.64 -3.53 2.03 -0.04 -1.26 -4.75 135.00 137.15 3ia5 n PRO 22 Ca 0.11 -2.26 -0.08 0.00 -0.04 0.00 0.00 63.50 61.24 3ia5 n PRO 22 Cb 0.46 -2.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 3ia5 n PRO 22 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3ia5 s TRP 23 N 2.21 -0.32 -0.20 0.54 -2.14 -1.26 -5.01 118.94 112.77 3ia5 s TRP 23 Ca 0.68 0.17 -0.06 0.00 2.66 0.00 0.00 56.10 59.55 3ia5 s TRP 23 Cb 0.18 0.55 -0.03 0.00 -3.10 0.00 0.00 33.47 31.06 3ia5 s TRP 23 CO -0.06 -0.56 0.02 -1.01 -2.66 0.00 0.00 176.95 172.68 3ia5 s HIS 24 N -3.11 3.09 -0.45 1.66 3.76 -1.26 -5.01 115.29 113.96 3ia5 s HIS 24 Ca 0.06 -0.30 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 3ia5 s HIS 24 Cb -0.01 -2.09 0.24 0.00 1.11 0.00 0.00 32.58 31.83 3ia5 s HIS 24 CO -0.08 -0.14 0.95 -0.11 -0.85 0.00 0.00 174.74 174.52 3ia5 n LEU 25 N 4.09 -2.57 0.30 0.89 7.94 -1.26 -4.28 117.00 122.10 3ia5 n LEU 25 Ca -0.17 -2.81 0.19 0.00 -1.11 0.00 0.00 56.01 52.11 3ia5 n LEU 25 Cb 0.52 0.75 0.98 0.00 0.53 0.00 0.00 43.42 46.20 3ia5 n LEU 25 CO 0.32 1.86 1.16 1.55 -1.11 0.00 0.00 177.39 181.17 3ia5 h PRO 26 N 3.97 0.00 0.00 1.96 0.13 -1.95 -0.39 132.00 135.71 3ia5 h PRO 26 Ca -0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 3ia5 h PRO 26 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ia5 h PRO 26 CO 0.15 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 177.82 3ia5 h ALA 27 N 1.75 1.83 -0.30 -0.56 0.00 -1.95 -0.89 119.26 119.14 3ia5 h ALA 27 Ca 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3ia5 h ALA 27 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ia5 h ALA 27 CO -0.00 0.12 0.21 1.05 0.00 0.00 0.00 179.25 180.64 3ia5 h GLU 28 N 0.00 0.04 -0.04 0.00 4.11 -1.50 -1.64 114.58 115.56 3ia5 h GLU 28 Ca -0.00 -0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.20 3ia5 h GLU 28 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ia5 h GLU 28 CO 0.01 0.03 -0.89 -0.07 0.07 0.00 0.00 179.01 178.16 3ia5 h LEU 29 N 0.04 0.63 -0.68 3.06 3.38 -1.32 0.12 115.31 120.55 3ia5 h LEU 29 Ca 0.14 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3ia5 h LEU 29 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3ia5 h LEU 29 CO -0.01 1.26 0.37 1.56 0.09 0.00 0.00 178.44 181.71 3ia5 h GLN 30 N 0.31 0.94 -0.38 1.13 4.20 -1.36 0.13 115.11 120.08 3ia5 h GLN 30 Ca -0.07 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3ia5 h GLN 30 Cb 1.51 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 3ia5 h GLN 30 CO 0.16 0.71 0.17 -0.07 -0.67 0.00 0.00 178.83 179.12 3ia5 h LEU 31 N 0.93 0.52 -0.12 1.46 3.38 -1.19 -0.43 115.31 119.86 3ia5 h LEU 31 Ca 0.24 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ia5 h LEU 31 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3ia5 h LEU 31 CO -0.04 0.52 -0.00 0.15 0.09 0.00 0.00 178.44 179.16 3ia5 h PHE 32 N 0.48 -0.01 -0.51 1.13 3.57 -0.76 -1.52 116.94 119.31 3ia5 h PHE 32 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3ia5 h PHE 32 Cb 0.16 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3ia5 h PHE 32 CO -0.01 -0.02 0.33 -0.22 -2.23 0.00 0.00 178.31 176.16 3ia5 h LYS 33 N 0.04 0.68 -0.40 1.11 3.64 -0.61 -0.74 116.57 120.29 3ia5 h LYS 33 Ca 0.06 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3ia5 h LYS 33 Cb 0.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3ia5 h LYS 33 CO -0.10 0.47 0.13 -0.09 -2.27 0.00 0.00 179.45 177.59 3ia5 h ARG 34 N 0.69 0.57 0.00 1.90 9.65 -0.78 -0.38 114.38 126.03 3ia5 h ARG 34 Ca 0.19 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3ia5 h ARG 34 Cb -0.05 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 3ia5 h ARG 34 CO -0.04 0.50 -0.65 0.00 2.80 0.00 0.00 179.97 182.59 3ia5 h ALA 35 N 1.58 0.63 0.00 2.80 0.00 -0.75 -3.37 119.26 120.15 3ia5 h ALA 35 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ia5 h ALA 35 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ia5 h ALA 35 CO -0.01 0.00 -1.43 0.25 0.00 0.00 0.00 179.25 178.06 3ia5 n THR 36 N -2.43 0.05 -1.66 0.00 -2.24 -0.33 -4.96 114.28 102.70 3ia5 n THR 36 Ca 0.02 -0.22 -0.51 0.00 -2.27 0.00 0.00 64.05 61.07 3ia5 n THR 36 Cb 0.49 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 3ia5 n THR 36 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3ia5 n LEU 37 N -1.86 2.68 0.00 3.22 7.94 -0.18 -0.98 117.00 127.82 3ia5 n LEU 37 Ca -0.03 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3ia5 n LEU 37 Cb 0.28 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 42.95 3ia5 n LEU 37 CO 0.19 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.64 3ia5 n GLY 38 N 3.68 0.57 3.44 -3.96 0.00 -0.16 -5.04 105.19 103.71 3ia5 n GLY 38 Ca 0.21 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3ia5 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia5 s LYS 39 N -0.30 1.58 0.26 1.61 1.02 -0.15 -4.94 119.74 118.82 3ia5 s LYS 39 Ca 0.00 -1.65 -0.29 0.00 0.02 0.00 0.00 55.97 54.05 3ia5 s LYS 39 Cb 0.00 -1.76 -0.09 0.00 -0.52 0.00 0.00 37.83 35.46 3ia5 s LYS 39 CO 0.00 0.35 1.28 -1.25 -0.92 0.00 0.00 175.35 174.81 3ia5 s PRO 40 N -3.13 4.42 -0.03 -1.68 0.05 -1.26 -1.99 135.00 131.37 3ia5 s PRO 40 Ca 0.25 2.08 0.05 0.00 0.05 0.00 0.00 61.00 63.43 3ia5 s PRO 40 Cb -0.06 -3.15 -0.03 0.00 0.05 0.00 0.00 34.50 31.32 3ia5 s PRO 40 CO 0.12 -0.15 -0.17 0.96 0.05 0.00 0.00 177.00 177.81 3ia5 s ILE 41 N -0.57 2.85 -0.09 0.56 -4.36 0.52 -1.56 121.20 118.55 3ia5 s ILE 41 Ca 0.52 -0.85 0.03 0.00 -0.26 0.00 0.00 60.65 60.08 3ia5 s ILE 41 Cb -0.37 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.23 3ia5 s ILE 41 CO 0.44 0.55 -0.18 -0.69 0.24 0.00 0.00 174.94 175.30 3ia5 s VAL 42 N -0.74 1.64 0.05 8.37 1.01 -0.04 -0.41 120.40 130.28 3ia5 s VAL 42 Ca 0.12 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3ia5 s VAL 42 Cb -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3ia5 s VAL 42 CO 0.01 0.47 0.10 0.00 0.00 0.00 0.00 175.10 175.68 3ia5 s MET 43 N 0.54 0.64 0.78 2.72 0.00 -0.20 -1.00 119.30 122.78 3ia5 s MET 43 Ca -0.16 -0.83 -0.11 0.00 0.00 0.00 0.00 55.69 54.59 3ia5 s MET 43 Cb -0.17 0.25 0.06 0.00 0.00 0.00 0.00 34.83 34.97 3ia5 s MET 43 CO 0.06 -0.16 1.09 0.20 0.00 0.00 0.00 175.02 176.21 3ia5 s GLY 44 N -2.33 1.63 0.29 3.16 0.00 -0.32 0.06 107.32 109.80 3ia5 s GLY 44 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 3ia5 s GLY 44 CO -0.06 0.23 1.95 0.07 0.00 0.00 0.00 173.10 175.29 3ia5 h ARG 45 N -1.02 1.13 -0.55 2.90 0.11 -1.92 -0.54 114.38 114.48 3ia5 h ARG 45 Ca -0.46 -0.08 -0.04 0.00 0.10 0.00 0.00 59.98 59.49 3ia5 h ARG 45 Cb 1.26 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 32.07 3ia5 h ARG 45 CO 0.59 0.76 0.18 -0.97 0.10 0.00 0.00 179.97 180.63 3ia5 h ASN 46 N 1.16 0.80 -0.61 0.08 -1.24 -1.95 0.15 115.58 113.97 3ia5 h ASN 46 Ca 0.31 -0.20 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 3ia5 h ASN 46 Cb -0.11 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.70 3ia5 h ASN 46 CO -0.06 0.79 0.16 0.74 -1.29 0.00 0.00 177.43 177.77 3ia5 h THR 47 N 0.77 1.25 -0.57 -3.57 2.02 -1.75 -0.68 112.91 110.37 3ia5 h THR 47 Ca 0.18 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 3ia5 h THR 47 Cb 0.27 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3ia5 h THR 47 CO -0.01 0.33 0.21 0.15 0.37 0.00 0.00 175.52 176.58 3ia5 h PHE 48 N 0.89 0.88 -0.83 3.16 3.57 -0.45 -1.75 116.94 122.41 3ia5 h PHE 48 Ca 0.19 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3ia5 h PHE 48 Cb 0.33 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3ia5 h PHE 48 CO 0.02 0.73 0.55 0.93 -2.23 0.00 0.00 178.31 178.31 3ia5 h GLU 49 N 0.79 1.01 -0.42 1.11 5.08 -0.46 -1.31 114.58 120.38 3ia5 h GLU 49 Ca 0.19 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3ia5 h GLU 49 Cb 0.23 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3ia5 h GLU 49 CO -0.01 0.67 -0.05 0.77 -1.00 0.00 0.00 179.01 179.39 3ia5 h SER 50 N 1.04 0.77 -0.14 1.42 0.02 -0.39 -2.78 113.55 113.49 3ia5 h SER 50 Ca 0.33 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 3ia5 h SER 50 Cb 0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3ia5 h SER 50 CO -0.09 0.92 -0.28 0.40 -1.14 0.00 0.00 176.83 176.64 3ia5 h ILE 51 N 0.60 1.28 0.00 3.27 2.04 -1.12 -3.47 117.51 120.11 3ia5 h ILE 51 Ca 0.11 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3ia5 h ILE 51 Cb 0.56 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3ia5 h ILE 51 CO 0.03 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.24 3ia5 n GLY 52 N -0.22 0.55 0.00 5.37 0.00 -0.52 -5.00 105.19 105.38 3ia5 n GLY 52 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3ia5 n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ia5 n ARG 53 N -2.78 0.00 -1.93 1.61 1.85 -1.26 -5.06 116.66 109.09 3ia5 n ARG 53 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 3ia5 n ARG 53 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 3ia5 n ARG 53 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3ia5 s PRO 54 N -2.00 3.58 0.01 2.89 0.02 -1.26 -5.00 135.00 133.24 3ia5 s PRO 54 Ca 0.00 2.19 -0.18 0.00 0.02 0.00 0.00 61.00 63.03 3ia5 s PRO 54 Cb 0.00 -2.50 -0.06 0.00 0.02 0.00 0.00 34.50 31.96 3ia5 s PRO 54 CO 0.00 -0.83 0.52 -0.51 -0.33 0.00 0.00 177.00 175.86 3ia5 s LEU 55 N -2.98 4.46 0.53 -5.54 1.43 -1.26 -5.04 118.68 110.28 3ia5 s LEU 55 Ca 0.64 1.11 -0.21 0.00 -1.03 0.00 0.00 54.13 54.65 3ia5 s LEU 55 Cb -0.39 -2.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.97 3ia5 s LEU 55 CO 0.48 0.21 1.18 -2.84 0.23 0.00 0.00 176.35 175.61 3ia5 s PRO 56 N -0.67 3.37 -0.15 1.29 0.02 -1.26 -3.26 135.00 134.34 3ia5 s PRO 56 Ca 0.28 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3ia5 s PRO 56 Cb -0.18 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.21 3ia5 s PRO 56 CO 0.16 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3ia5 n GLY 57 N 0.38 0.44 3.22 0.52 0.00 -1.26 -4.93 105.19 103.55 3ia5 n GLY 57 Ca 0.11 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 3ia5 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ia5 s ARG 58 N -1.09 0.94 -0.39 1.61 0.52 -1.20 -0.99 118.95 118.35 3ia5 s ARG 58 Ca 0.00 -1.09 -0.27 0.00 -0.52 0.00 0.00 55.73 53.85 3ia5 s ARG 58 Cb 0.00 -0.95 0.02 0.00 0.52 0.00 0.00 34.95 34.54 3ia5 s ARG 58 CO 0.00 0.20 1.01 -1.17 0.02 0.00 0.00 175.30 175.36 3ia5 s LEU 59 N -2.03 3.90 -0.35 2.53 2.96 -0.84 -4.83 118.68 120.03 3ia5 s LEU 59 Ca 0.03 0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 3ia5 s LEU 59 Cb -0.08 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.22 3ia5 s LEU 59 CO 0.03 -0.97 0.68 0.20 -1.32 0.00 0.00 176.35 174.96 3ia5 s ASN 60 N 1.99 6.48 -0.16 3.68 0.01 -1.26 -0.36 114.94 125.33 3ia5 s ASN 60 Ca 0.42 0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.85 3ia5 s ASN 60 Cb -0.11 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3ia5 s ASN 60 CO 0.22 -0.60 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.40 3ia5 s ILE 61 N 2.79 2.43 -0.20 0.60 1.01 0.45 -1.35 121.20 126.93 3ia5 s ILE 61 Ca 0.26 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 3ia5 s ILE 61 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3ia5 s ILE 61 CO 0.15 0.52 0.06 -0.69 0.00 0.00 0.00 174.94 174.98 3ia5 s VAL 62 N 0.91 4.62 -0.37 2.92 1.01 0.26 -1.03 120.40 128.71 3ia5 s VAL 62 Ca -0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 3ia5 s VAL 62 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3ia5 s VAL 62 CO -0.02 0.42 0.38 -0.22 0.00 0.00 0.00 175.10 175.66 3ia5 s LEU 63 N 0.73 4.63 -0.07 3.92 0.20 0.11 -1.56 118.68 126.64 3ia5 s LEU 63 Ca 0.03 -0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.38 3ia5 s LEU 63 Cb -0.13 -2.34 0.03 0.00 -0.43 0.00 0.00 46.19 43.32 3ia5 s LEU 63 CO 0.02 -0.43 0.17 -0.55 -0.29 0.00 0.00 176.35 175.27 3ia5 s SER 64 N 1.75 -0.15 0.00 3.68 0.15 -0.35 -3.97 113.70 114.81 3ia5 s SER 64 Ca 0.11 0.34 0.24 0.00 0.70 0.00 0.00 55.95 57.34 3ia5 s SER 64 Cb -0.17 0.27 0.55 0.00 -1.71 0.00 0.00 66.02 64.96 3ia5 s SER 64 CO 0.12 -0.12 1.46 -2.11 1.20 0.00 0.00 173.24 173.79 3ia5 n ARG 65 N 3.80 2.13 -4.20 5.44 0.00 -1.26 -4.02 116.66 118.56 3ia5 n ARG 65 Ca -0.22 -1.68 -0.35 0.00 -0.00 0.00 0.00 57.85 55.60 3ia5 n ARG 65 Cb 0.54 -1.47 -0.08 0.00 -0.00 0.00 0.00 32.46 31.46 3ia5 n ARG 65 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 3ia5 s GLN 66 N -1.78 3.10 -1.04 2.89 0.00 -1.26 -5.09 119.66 116.48 3ia5 s GLN 66 Ca 0.34 -0.36 -0.24 0.00 -0.00 0.00 0.00 55.36 55.10 3ia5 s GLN 66 Cb 0.20 -2.90 -0.16 0.00 0.00 0.00 0.00 33.01 30.16 3ia5 s GLN 66 CO 0.30 0.71 1.96 -3.47 0.00 0.00 0.00 175.29 174.79 3ia5 n ASP 68 N 1.88 2.42 -4.60 12.60 -0.08 -1.26 -4.99 116.55 122.52 3ia5 n ASP 68 Ca -0.18 -2.63 -0.43 0.00 -1.51 0.00 0.00 54.79 50.05 3ia5 n ASP 68 Cb 0.54 -1.59 -0.03 0.00 2.34 0.00 0.00 41.12 42.38 3ia5 n ASP 68 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3ia5 s TYR 69 N 11.88 1.56 -0.31 -0.67 5.04 -1.26 -4.86 117.35 128.73 3ia5 s TYR 69 Ca 0.71 0.56 0.18 0.00 -2.44 0.00 0.00 57.07 56.08 3ia5 s TYR 69 Cb 0.01 -4.05 0.46 0.00 0.35 0.00 0.00 41.96 38.74 3ia5 s TYR 69 CO 0.16 -3.46 1.09 0.00 -1.34 0.00 0.00 175.55 172.00 3ia5 n GLN 70 N 8.49 1.35 -1.77 4.97 10.64 -1.26 -4.92 117.38 134.88 3ia5 n GLN 70 Ca 0.25 -3.03 -0.40 0.00 -1.83 0.00 0.00 57.00 51.99 3ia5 n GLN 70 Cb 0.46 -1.11 0.02 0.00 -0.86 0.00 0.00 30.24 28.74 3ia5 n GLN 70 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3ia5 s PRO 71 N -2.75 3.72 0.53 2.61 0.04 -1.26 -4.95 135.00 132.94 3ia5 s PRO 71 Ca 0.25 2.47 -0.21 0.00 0.04 0.00 0.00 61.00 63.56 3ia5 s PRO 71 Cb 0.41 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 3ia5 s PRO 71 CO -0.01 -0.81 1.17 -1.21 0.04 0.00 0.00 177.00 176.18 3ia5 s GLU 72 N -2.42 3.40 0.00 4.56 2.02 -1.26 -3.60 118.70 121.40 3ia5 s GLU 72 Ca 0.60 1.74 0.00 0.00 0.02 0.00 0.00 54.97 57.33 3ia5 s GLU 72 Cb -0.45 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3ia5 s GLU 72 CO 0.58 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 175.43 3ia5 n GLY 73 N 0.35 0.81 3.02 -1.39 0.00 -1.26 -4.94 105.19 101.79 3ia5 n GLY 73 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3ia5 n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ia5 s VAL 74 N -2.78 0.33 -0.09 1.61 -7.23 -1.24 -4.78 120.40 106.22 3ia5 s VAL 74 Ca 0.00 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.94 3ia5 s VAL 74 Cb 0.00 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 3ia5 s VAL 74 CO 0.00 -0.45 0.67 -0.89 -0.31 0.00 0.00 175.10 174.12 3ia5 s THR 75 N -1.45 5.05 -0.08 5.32 2.01 -0.45 -4.89 115.64 121.15 3ia5 s THR 75 Ca -0.13 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.26 3ia5 s THR 75 Cb -0.10 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 3ia5 s THR 75 CO -0.00 0.23 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.33 3ia5 s VAL 76 N 0.98 3.08 0.05 3.82 1.01 -1.26 0.89 120.40 128.98 3ia5 s VAL 76 Ca 0.35 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 3ia5 s VAL 76 Cb -0.17 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3ia5 s VAL 76 CO 0.16 0.57 0.06 0.68 0.00 0.00 0.00 175.10 176.57 3ia5 s VAL 77 N -0.38 0.17 -0.30 2.92 -7.23 -0.60 -4.95 120.40 110.02 3ia5 s VAL 77 Ca 0.04 -1.37 0.22 0.00 -1.81 0.00 0.00 61.98 59.06 3ia5 s VAL 77 Cb -0.12 -1.18 -0.17 0.00 0.56 0.00 0.00 36.38 35.46 3ia5 s VAL 77 CO 0.02 -0.76 0.82 0.00 -0.31 0.00 0.00 175.10 174.87 3ia5 n ALA 78 N 0.40 3.00 -2.32 1.32 0.00 -1.26 -1.21 120.51 120.43 3ia5 n ALA 78 Ca -0.17 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 3ia5 n ALA 78 Cb 0.60 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 3ia5 n ALA 78 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ia5 s THR 79 N -3.36 0.05 0.17 0.00 -4.23 -1.26 -4.65 115.64 102.36 3ia5 s THR 79 Ca -0.02 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 3ia5 s THR 79 Cb 0.13 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.82 3ia5 s THR 79 CO 0.84 -0.24 1.82 0.25 -0.54 0.00 0.00 174.62 176.76 3ia5 h LEU 80 N 2.69 0.52 -0.97 4.79 5.85 -1.99 -1.53 115.31 124.66 3ia5 h LEU 80 Ca -0.34 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.42 3ia5 h LEU 80 Cb 1.23 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 3ia5 h LEU 80 CO 0.54 0.37 0.63 -0.33 -0.34 0.00 0.00 178.44 179.31 3ia5 h GLU 81 N 0.62 1.15 -0.57 1.25 3.07 -1.99 0.50 114.58 118.60 3ia5 h GLU 81 Ca 0.18 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 3ia5 h GLU 81 Cb -0.04 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 27.58 3ia5 h GLU 81 CO -0.05 0.76 0.25 -0.44 -1.40 0.00 0.00 179.01 178.12 3ia5 h ASP 82 N 1.19 0.78 -0.95 1.42 3.32 -1.85 -2.20 116.42 118.11 3ia5 h ASP 82 Ca 0.40 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.36 3ia5 h ASP 82 Cb 0.07 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.35 3ia5 h ASP 82 CO -0.14 0.72 0.61 0.00 -1.72 0.00 0.00 179.24 178.70 3ia5 h ALA 83 N 1.09 1.33 -0.11 3.45 0.00 -0.23 -0.53 119.26 124.26 3ia5 h ALA 83 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ia5 h ALA 83 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ia5 h ALA 83 CO -0.02 0.36 0.02 0.28 0.00 0.00 0.00 179.25 179.90 3ia5 h VAL 84 N 1.09 0.96 -0.46 0.00 2.07 -0.45 -0.90 116.25 118.55 3ia5 h VAL 84 Ca 0.42 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.94 3ia5 h VAL 84 Cb 0.20 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3ia5 h VAL 84 CO -0.18 0.01 0.27 0.58 0.02 0.00 0.00 177.57 178.27 3ia5 h VAL 85 N 0.07 1.04 -0.43 2.57 2.07 -0.84 -2.64 116.25 118.09 3ia5 h VAL 85 Ca 0.05 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ia5 h VAL 85 Cb 0.04 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3ia5 h VAL 85 CO -0.06 0.10 0.29 0.00 0.02 0.00 0.00 177.57 177.91 3ia5 h ALA 86 N 1.21 1.70 0.00 1.67 0.00 -0.88 -1.80 119.26 121.16 3ia5 h ALA 86 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3ia5 h ALA 86 Cb 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ia5 h ALA 86 CO -0.09 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.31 3ia5 h ALA 87 N 1.73 1.04 -0.69 0.00 0.00 -0.80 -3.48 119.26 117.06 3ia5 h ALA 87 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ia5 h ALA 87 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ia5 h ALA 87 CO -0.04 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.78 3ia5 n GLY 88 N 0.02 2.48 2.84 0.00 0.00 -0.68 -4.20 105.19 105.64 3ia5 n GLY 88 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3ia5 n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ia5 n ASP 89 N 4.75 6.83 -4.48 1.61 2.03 -1.26 -4.92 116.55 121.11 3ia5 n ASP 89 Ca 0.00 -3.52 -0.24 0.00 0.52 0.00 0.00 54.79 51.55 3ia5 n ASP 89 Cb 0.00 -1.24 -0.10 0.00 -0.72 0.00 0.00 41.12 39.06 3ia5 n ASP 89 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ia5 s VAL 90 N -3.34 2.19 0.24 5.18 -7.23 -1.26 -5.05 120.40 111.13 3ia5 s VAL 90 Ca 0.35 -2.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 3ia5 s VAL 90 Cb 0.11 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.62 3ia5 s VAL 90 CO 0.00 -0.32 1.61 -0.08 -0.31 0.00 0.00 175.10 176.00 3ia5 h GLU 91 N 2.20 0.46 -2.37 4.82 4.57 -1.95 -3.43 114.58 118.88 3ia5 h GLU 91 Ca -0.41 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 57.45 3ia5 h GLU 91 Cb 1.25 0.01 -0.22 0.00 -0.16 0.00 0.00 28.75 29.62 3ia5 h GLU 91 CO 0.65 0.81 -0.04 -2.00 -1.18 0.00 0.00 179.01 177.25 3ia5 s GLU 92 N -4.16 0.69 0.09 1.92 2.12 -1.26 -0.04 118.70 118.06 3ia5 s GLU 92 Ca -0.06 0.70 0.10 0.00 0.36 0.00 0.00 54.97 56.06 3ia5 s GLU 92 Cb 0.12 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.82 3ia5 s GLU 92 CO 0.81 -0.10 -0.25 -0.48 -0.54 0.00 0.00 175.26 174.69 3ia5 s LEU 93 N 0.10 2.24 -0.27 2.70 0.05 -0.22 -4.38 118.68 118.90 3ia5 s LEU 93 Ca -0.02 -0.66 -0.05 0.00 0.05 0.00 0.00 54.13 53.46 3ia5 s LEU 93 Cb -0.04 -1.19 0.01 0.00 -2.05 0.00 0.00 46.19 42.93 3ia5 s LEU 93 CO 0.02 0.20 0.02 -0.04 -0.55 0.00 0.00 176.35 176.00 3ia5 s MET 94 N -1.63 3.09 -0.16 1.48 -1.94 -0.60 -0.66 119.30 118.87 3ia5 s MET 94 Ca 0.12 -0.84 -0.22 0.00 -1.71 0.00 0.00 55.69 53.04 3ia5 s MET 94 Cb -0.10 -3.21 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 3ia5 s MET 94 CO 0.04 -0.38 0.68 0.42 -0.01 0.00 0.00 175.02 175.76 3ia5 s ILE 95 N 1.45 5.01 -0.43 2.53 1.01 0.83 -0.86 121.20 130.74 3ia5 s ILE 95 Ca 0.03 1.32 0.14 0.00 0.00 0.00 0.00 60.65 62.13 3ia5 s ILE 95 Cb -0.16 -4.00 0.40 0.00 0.01 0.00 0.00 42.46 38.71 3ia5 s ILE 95 CO -0.00 0.13 1.31 2.30 0.00 0.00 0.00 174.94 178.68 3ia5 n ILE 96 N 4.47 1.72 0.00 2.92 -5.35 -0.17 -1.07 119.36 121.87 3ia5 n ILE 96 Ca -0.00 -1.54 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 3ia5 n ILE 96 Cb 0.50 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 3ia5 n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ia5 n GLY 97 N -0.21 1.34 0.00 3.28 0.00 -1.26 -4.93 105.19 103.40 3ia5 n GLY 97 Ca 0.16 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3ia5 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ia5 n GLY 98 N -0.28 1.26 0.22 -0.02 0.00 -1.26 -1.18 105.19 103.92 3ia5 n GLY 98 Ca 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 3ia5 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia5 h ALA 99 N -1.33 0.68 -0.37 4.61 0.00 -1.96 -0.46 119.26 120.43 3ia5 h ALA 99 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ia5 h ALA 99 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3ia5 h ALA 99 CO 0.00 -0.27 0.09 1.15 0.00 0.00 0.00 179.25 180.22 3ia5 h THR 100 N 0.30 0.84 -0.15 0.00 2.02 -1.96 -1.10 112.91 112.85 3ia5 h THR 100 Ca 0.29 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 3ia5 h THR 100 Cb 0.39 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3ia5 h THR 100 CO -0.35 0.04 0.08 0.40 0.37 0.00 0.00 175.52 176.07 3ia5 h ILE 101 N 0.23 1.11 -0.56 3.11 1.08 -1.72 -1.79 117.51 118.97 3ia5 h ILE 101 Ca 0.17 -0.31 0.11 0.00 -0.39 0.00 0.00 64.86 64.44 3ia5 h ILE 101 Cb 0.18 1.04 -0.10 0.00 -3.07 0.00 0.00 36.82 34.88 3ia5 h ILE 101 CO -0.21 0.10 -0.04 1.88 -0.69 0.00 0.00 178.15 179.19 3ia5 h TYR 102 N 0.14 -0.12 -0.69 1.37 0.05 -0.94 0.12 116.97 116.89 3ia5 h TYR 102 Ca 0.05 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 3ia5 h TYR 102 Cb 0.09 0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3ia5 h TYR 102 CO -0.03 -0.17 0.42 -0.91 -1.05 0.00 0.00 178.16 176.41 3ia5 h ASN 103 N 0.08 0.83 0.96 3.88 2.35 -1.06 -0.95 115.58 121.67 3ia5 h ASN 103 Ca 0.28 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.85 3ia5 h ASN 103 Cb 0.44 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3ia5 h ASN 103 CO -0.51 0.65 -0.59 1.56 -1.65 0.00 0.00 177.43 176.89 3ia5 h GLN 104 N 0.94 0.00 0.00 0.81 4.20 -0.83 -3.33 115.11 116.91 3ia5 h GLN 104 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3ia5 h GLN 104 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3ia5 h GLN 104 CO -0.05 0.59 -1.24 0.00 -0.67 0.00 0.00 178.83 177.46 3ia5 h LEU 106 N 0.00 0.43 -1.37 0.00 5.85 -1.28 0.03 115.31 118.97 3ia5 h LEU 106 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ia5 h LEU 106 Cb 0.62 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ia5 h LEU 106 CO 0.00 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.26 3ia5 h ALA 107 N 1.57 1.00 -0.03 1.25 0.00 -1.83 -1.76 119.26 119.46 3ia5 h ALA 107 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3ia5 h ALA 107 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ia5 h ALA 107 CO -0.40 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 178.82 3ia5 n ALA 108 N -1.97 2.54 -2.70 0.00 0.00 -0.03 -4.98 120.51 113.37 3ia5 n ALA 108 Ca 0.01 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.38 3ia5 n ALA 108 Cb 0.25 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 3ia5 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ia5 s ALA 109 N -2.03 3.40 0.14 0.00 0.00 -0.66 -4.71 121.76 117.89 3ia5 s ALA 109 Ca 0.29 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3ia5 s ALA 109 Cb 0.20 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.16 3ia5 s ALA 109 CO 0.32 -0.33 1.33 -0.44 0.00 0.00 0.00 175.76 176.64 3ia5 h ASP 110 N 7.01 0.20 -4.38 0.00 5.19 -0.95 -3.43 116.42 120.07 3ia5 h ASP 110 Ca -0.36 -0.18 -0.25 0.00 -0.62 0.00 0.00 57.03 55.61 3ia5 h ASP 110 Cb 1.17 -0.06 -0.24 0.00 0.18 0.00 0.00 39.33 40.37 3ia5 h ASP 110 CO 0.78 1.04 -0.73 -0.13 -3.12 0.00 0.00 179.24 177.09 3ia5 s ARG 111 N -3.01 0.32 -0.13 3.56 0.52 -1.13 -0.33 118.95 118.75 3ia5 s ARG 111 Ca -0.02 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 3ia5 s ARG 111 Cb 0.10 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.43 3ia5 s ARG 111 CO 0.83 0.03 -0.22 -0.51 0.02 0.00 0.00 175.30 175.45 3ia5 s LEU 112 N -0.84 2.09 -0.45 2.53 1.43 -0.24 -0.82 118.68 122.39 3ia5 s LEU 112 Ca -0.06 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 3ia5 s LEU 112 Cb -0.06 -1.42 0.08 0.00 0.03 0.00 0.00 46.19 44.82 3ia5 s LEU 112 CO -0.00 0.10 0.33 -0.31 0.23 0.00 0.00 176.35 176.69 3ia5 s TYR 113 N 0.69 3.30 -0.17 0.29 4.12 0.14 -0.64 117.35 125.08 3ia5 s TYR 113 Ca -0.10 -1.32 -0.01 0.00 0.02 0.00 0.00 57.07 55.66 3ia5 s TYR 113 Cb -0.16 -3.11 -0.01 0.00 -1.52 0.00 0.00 41.96 37.16 3ia5 s TYR 113 CO 0.01 -0.85 -0.11 -0.51 0.02 0.00 0.00 175.55 174.11 3ia5 s LEU 114 N 1.51 2.69 -0.39 -1.29 1.43 0.36 -1.70 118.68 121.29 3ia5 s LEU 114 Ca 0.04 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 3ia5 s LEU 114 Cb -0.24 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3ia5 s LEU 114 CO 0.04 0.08 0.25 -0.89 0.23 0.00 0.00 176.35 176.06 3ia5 s THR 115 N 0.88 4.93 -0.34 5.49 2.01 -0.23 -0.56 115.64 127.81 3ia5 s THR 115 Ca -0.03 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.00 3ia5 s THR 115 Cb -0.15 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.61 3ia5 s THR 115 CO 0.00 -0.27 0.69 -1.00 -0.69 0.00 0.00 174.62 173.34 3ia5 s HIS 116 N 1.62 3.16 -0.21 4.92 0.09 0.48 -0.63 115.29 124.72 3ia5 s HIS 116 Ca 0.04 0.49 -0.13 0.00 -0.00 0.00 0.00 55.06 55.45 3ia5 s HIS 116 Cb -0.19 -3.18 -0.04 0.00 -0.00 0.00 0.00 32.58 29.16 3ia5 s HIS 116 CO 0.08 -0.62 0.29 0.42 -0.00 0.00 0.00 174.74 174.92 3ia5 s ILE 117 N 2.81 5.28 -1.08 0.60 1.01 0.91 -0.86 121.20 129.87 3ia5 s ILE 117 Ca 0.27 0.48 -0.22 0.00 0.00 0.00 0.00 60.65 61.18 3ia5 s ILE 117 Cb -0.14 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3ia5 s ILE 117 CO 0.14 0.31 1.67 -0.70 0.00 0.00 0.00 174.94 176.36 3ia5 s GLU 118 N 1.08 3.37 -0.29 2.79 2.12 -0.25 -3.37 118.70 124.15 3ia5 s GLU 118 Ca 0.14 -1.18 -0.13 0.00 0.36 0.00 0.00 54.97 54.16 3ia5 s GLU 118 Cb -0.14 -5.33 0.12 0.00 0.26 0.00 0.00 34.13 29.04 3ia5 s GLU 118 CO 0.06 -2.64 0.73 -1.17 -0.54 0.00 0.00 175.26 171.70 3ia5 s LEU 119 N 6.44 -0.97 -0.40 2.70 2.96 -1.26 -4.54 118.68 123.61 3ia5 s LEU 119 Ca 0.55 1.40 -0.15 0.00 -0.22 0.00 0.00 54.13 55.71 3ia5 s LEU 119 Cb -0.00 2.20 0.01 0.00 0.50 0.00 0.00 46.19 48.90 3ia5 s LEU 119 CO -0.01 -0.20 0.31 -0.89 -1.32 0.00 0.00 176.35 174.23 3ia5 s THR 120 N 2.40 5.24 0.22 3.68 2.01 -1.26 -0.80 115.64 127.13 3ia5 s THR 120 Ca -0.07 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.39 3ia5 s THR 120 Cb -0.09 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 3ia5 s THR 120 CO -0.19 -0.28 0.08 0.28 -0.69 0.00 0.00 174.62 173.83 3ia5 s THR 121 N 1.74 0.47 0.41 -0.82 -1.32 -1.26 -5.04 115.64 109.82 3ia5 s THR 121 Ca 0.06 -1.99 -0.22 0.00 -1.21 0.00 0.00 61.69 58.33 3ia5 s THR 121 Cb -0.19 -2.47 -0.10 0.00 -1.51 0.00 0.00 72.50 68.23 3ia5 s THR 121 CO 0.11 -0.13 0.98 -1.61 -2.21 0.00 0.00 174.62 171.75 3ia5 s GLU 122 N -4.03 4.22 0.04 7.08 2.02 -1.26 -5.00 118.70 121.77 3ia5 s GLU 122 Ca 0.34 1.25 -0.09 0.00 0.02 0.00 0.00 54.97 56.49 3ia5 s GLU 122 Cb 0.07 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3ia5 s GLU 122 CO 0.11 -0.05 0.18 0.20 0.02 0.00 0.00 175.26 175.72 3ia5 s GLY 123 N -1.96 0.05 0.00 -1.39 0.00 -1.26 -4.77 107.32 97.98 3ia5 s GLY 123 Ca 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.00 3ia5 s GLY 123 CO 0.18 -0.49 0.18 2.09 0.00 0.00 0.00 173.10 175.06 3ia5 n ASP 124 N 0.69 0.36 -3.90 1.64 5.68 0.65 -4.97 116.55 116.70 3ia5 n ASP 124 Ca -0.19 -0.68 -0.18 0.00 -0.50 0.00 0.00 54.79 53.24 3ia5 n ASP 124 Cb 0.59 0.63 -0.16 0.00 -1.14 0.00 0.00 41.12 41.05 3ia5 n ASP 124 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3ia5 s THR 125 N -0.63 0.42 0.04 2.12 2.01 -1.06 -4.98 115.64 113.55 3ia5 s THR 125 Ca 0.00 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.96 3ia5 s THR 125 Cb 0.00 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 3ia5 s THR 125 CO 0.00 0.17 -0.21 0.26 -0.69 0.00 0.00 174.62 174.15 3ia5 s TRP 126 N 0.56 1.84 0.52 4.92 0.51 -1.26 -0.77 118.94 125.26 3ia5 s TRP 126 Ca -0.07 -0.38 -0.23 0.00 -2.12 0.00 0.00 56.10 53.31 3ia5 s TRP 126 Cb -0.10 -1.10 -0.06 0.00 -0.81 0.00 0.00 33.47 31.41 3ia5 s TRP 126 CO -0.00 0.09 1.39 0.12 -0.51 0.00 0.00 176.95 178.04 3ia5 s PHE 127 N -0.80 2.31 0.76 -1.98 2.19 -0.16 -4.87 117.98 115.43 3ia5 s PHE 127 Ca 0.08 1.33 -0.15 0.00 0.33 0.00 0.00 56.93 58.52 3ia5 s PHE 127 Cb -0.09 -3.86 0.06 0.00 -1.31 0.00 0.00 43.02 37.82 3ia5 s PHE 127 CO 0.02 -2.98 1.24 -2.14 1.83 0.00 0.00 175.22 173.18 3ia5 s PRO 128 N -2.78 1.88 -1.16 10.12 0.02 -1.26 -4.86 135.00 136.97 3ia5 s PRO 128 Ca 0.69 1.86 -0.21 0.00 0.02 0.00 0.00 61.00 63.36 3ia5 s PRO 128 Cb -0.42 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 3ia5 s PRO 128 CO 0.51 -2.06 1.80 0.34 -0.33 0.00 0.00 177.00 177.27 3ia5 s ASP 129 N -1.91 5.85 0.54 2.53 2.15 -1.26 -4.76 116.67 119.81 3ia5 s ASP 129 Ca 0.76 -1.75 0.32 0.00 0.43 0.00 0.00 52.55 52.32 3ia5 s ASP 129 Cb -0.32 -2.58 1.29 0.00 -0.30 0.00 0.00 42.92 41.02 3ia5 s ASP 129 CO 0.47 -2.18 1.96 0.10 -0.17 0.00 0.00 175.17 175.35 3ia5 h TYR 130 N 9.26 0.00 0.00 -5.34 -0.00 -1.95 -2.62 116.97 116.32 3ia5 h TYR 130 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.00 3ia5 h TYR 130 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 3ia5 h TYR 130 CO 1.29 0.03 0.00 0.39 -0.00 0.00 0.00 178.16 179.87 3ia5 n GLU 131 N -3.13 0.46 0.04 0.10 -0.58 -1.26 -0.74 120.64 115.54 3ia5 n GLU 131 Ca 0.01 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.85 3ia5 n GLU 131 Cb 0.32 -1.46 0.42 0.00 -0.57 0.00 0.00 31.44 30.15 3ia5 n GLU 131 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3ia5 n GLN 132 N -0.96 0.07 -4.49 3.49 1.13 -0.99 -4.80 117.38 110.83 3ia5 n GLN 132 Ca 0.10 0.24 -0.27 0.00 -1.94 0.00 0.00 57.00 55.13 3ia5 n GLN 132 Cb 0.05 -1.62 -0.10 0.00 0.11 0.00 0.00 30.24 28.68 3ia5 n GLN 132 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3ia5 s TYR 133 N -3.09 2.51 0.01 1.08 1.51 0.08 -5.15 117.35 114.30 3ia5 s TYR 133 Ca 0.08 -0.66 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 3ia5 s TYR 133 Cb 0.11 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 3ia5 s TYR 133 CO 0.37 0.36 -0.14 0.54 -1.11 0.00 0.00 175.55 175.57 3ia5 s ASN 134 N -3.78 4.08 0.05 2.29 4.22 -1.26 -5.00 114.94 115.54 3ia5 s ASN 134 Ca 0.35 -0.29 0.02 0.00 -2.14 0.00 0.00 52.86 50.80 3ia5 s ASN 134 Cb 0.08 -0.79 -0.03 0.00 1.28 0.00 0.00 41.25 41.79 3ia5 s ASN 134 CO 0.19 0.28 -0.07 0.26 -2.04 0.00 0.00 177.10 175.72 3ia5 s TRP 135 N -0.90 0.64 -0.12 1.54 0.52 -1.26 -1.34 118.94 118.02 3ia5 s TRP 135 Ca 0.15 -0.60 -0.01 0.00 0.02 0.00 0.00 56.10 55.65 3ia5 s TRP 135 Cb -0.11 -0.39 -0.02 0.00 -1.15 0.00 0.00 33.47 31.80 3ia5 s TRP 135 CO 0.05 -0.12 -0.08 -0.65 0.02 0.00 0.00 176.95 176.16 3ia5 s GLN 136 N -2.07 3.28 -0.20 4.98 -1.52 0.16 -4.83 119.66 119.46 3ia5 s GLN 136 Ca -0.06 -0.60 -0.29 0.00 -1.95 0.00 0.00 55.36 52.46 3ia5 s GLN 136 Cb -0.06 -2.70 0.00 0.00 -0.22 0.00 0.00 33.01 30.02 3ia5 s GLN 136 CO -0.01 0.36 1.07 -2.00 -0.25 0.00 0.00 175.29 174.45 3ia5 s GLU 137 N 0.01 4.28 -0.00 2.91 2.12 -1.26 -0.19 118.70 126.57 3ia5 s GLU 137 Ca -0.02 1.41 -0.19 0.00 0.36 0.00 0.00 54.97 56.54 3ia5 s GLU 137 Cb -0.14 -3.64 -0.32 0.00 0.26 0.00 0.00 34.13 30.29 3ia5 s GLU 137 CO 0.03 -0.59 0.98 0.82 -0.54 0.00 0.00 175.26 175.96 3ia5 h ILE 138 N 5.39 1.39 -2.99 -3.70 2.04 -1.27 -3.48 117.51 114.90 3ia5 h ILE 138 Ca -0.22 -2.54 -0.03 0.00 1.00 0.00 0.00 64.86 63.07 3ia5 h ILE 138 Cb 1.08 3.02 -0.13 0.00 -0.74 0.00 0.00 36.82 40.05 3ia5 h ILE 138 CO 0.96 0.74 0.16 -1.83 0.00 0.00 0.00 178.15 178.18 3ia5 s GLU 139 N -2.65 1.22 0.03 2.37 -1.05 -1.23 -5.02 118.70 112.37 3ia5 s GLU 139 Ca -0.11 -0.45 -0.10 0.00 -0.15 0.00 0.00 54.97 54.16 3ia5 s GLU 139 Cb 0.03 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.29 3ia5 s GLU 139 CO 0.89 -0.52 0.20 -3.38 0.95 0.00 0.00 175.26 173.40 3ia5 s HIS 140 N -3.54 0.02 -0.03 4.83 -3.43 -1.26 -1.20 115.29 110.67 3ia5 s HIS 140 Ca 0.00 -0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 54.08 3ia5 s HIS 140 Cb -0.01 -0.01 0.03 0.00 -1.43 0.00 0.00 32.58 31.16 3ia5 s HIS 140 CO -0.11 -0.40 0.05 -2.00 -2.00 0.00 0.00 174.74 170.28 3ia5 s GLU 141 N -2.17 -0.06 0.19 -0.38 2.12 0.14 -4.98 118.70 113.56 3ia5 s GLU 141 Ca -0.08 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.37 3ia5 s GLU 141 Cb -0.03 -0.44 -0.08 0.00 0.26 0.00 0.00 34.13 33.85 3ia5 s GLU 141 CO -0.02 -0.28 0.69 -1.12 -0.54 0.00 0.00 175.26 173.99 3ia5 s SER 142 N 1.84 7.06 -0.05 -1.70 0.01 -1.26 -0.38 113.70 119.22 3ia5 s SER 142 Ca 0.01 1.38 0.03 0.00 1.31 0.00 0.00 55.95 58.67 3ia5 s SER 142 Cb -0.12 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.71 3ia5 s SER 142 CO -0.03 0.08 -0.12 -0.31 0.41 0.00 0.00 173.24 173.27 3ia5 s TYR 143 N -1.44 1.35 0.38 2.43 1.51 0.54 -4.99 117.35 117.13 3ia5 s TYR 143 Ca 0.40 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.85 3ia5 s TYR 143 Cb -0.17 -0.96 -0.10 0.00 -0.11 0.00 0.00 41.96 40.62 3ia5 s TYR 143 CO 0.21 -0.19 0.88 0.00 -1.11 0.00 0.00 175.55 175.34 3ia5 s ALA 144 N 0.36 3.15 0.86 3.71 0.00 -1.26 -2.03 121.76 126.55 3ia5 s ALA 144 Ca -0.08 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 3ia5 s ALA 144 Cb -0.12 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.00 3ia5 s ALA 144 CO 0.02 0.20 0.66 0.00 0.00 0.00 0.00 175.76 176.64 3ia5 n ALA 145 N -0.40 -1.63 -3.26 0.00 0.00 -1.25 -4.85 120.51 109.13 3ia5 n ALA 145 Ca 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 3ia5 n ALA 145 Cb 0.53 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 3ia5 n ALA 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ia5 n ASP 146 N -1.67 -0.28 0.13 0.00 5.68 -0.59 -4.98 116.55 114.84 3ia5 n ASP 146 Ca 0.09 -1.46 0.03 0.00 -0.50 0.00 0.00 54.79 52.95 3ia5 n ASP 146 Cb 0.52 0.55 0.40 0.00 -1.14 0.00 0.00 41.12 41.45 3ia5 n ASP 146 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3ia5 h ASP 147 N 0.47 0.19 1.04 -1.12 2.03 -2.02 -1.68 116.42 115.33 3ia5 h ASP 147 Ca -0.06 -0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 56.18 3ia5 h ASP 147 Cb 0.28 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 38.73 3ia5 h ASP 147 CO 0.08 0.35 -0.97 0.11 -1.03 0.00 0.00 179.24 177.79 3ia5 h LYS 148 N 0.20 0.00 -3.77 4.15 1.57 -2.01 -3.44 116.57 113.26 3ia5 h LYS 148 Ca 0.04 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.18 3ia5 h LYS 148 Cb 0.37 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.27 3ia5 h LYS 148 CO 0.02 0.03 -0.67 -0.80 -0.57 0.00 0.00 179.45 177.46 3ia5 s ASN 149 N -5.47 4.40 0.00 0.86 0.01 -0.63 -4.49 114.94 109.62 3ia5 s ASN 149 Ca -0.00 -2.67 0.00 0.00 -0.71 0.00 0.00 52.86 49.48 3ia5 s ASN 149 Cb 0.09 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 40.18 3ia5 s ASN 149 CO 0.78 -0.29 0.68 -0.81 -1.51 0.00 0.00 177.10 175.96 3ia5 n PRO 150 N 3.56 0.92 -3.85 -0.60 -0.04 -1.25 -1.54 135.00 132.19 3ia5 n PRO 150 Ca 0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 3ia5 n PRO 150 Cb 0.36 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 3ia5 n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ia5 s HIS 151 N -0.47 -0.06 0.46 0.54 3.76 -1.26 -5.02 115.29 113.24 3ia5 s HIS 151 Ca 0.00 0.13 -0.22 0.00 -0.15 0.00 0.00 55.06 54.83 3ia5 s HIS 151 Cb 0.00 0.00 -0.08 0.00 1.11 0.00 0.00 32.58 33.61 3ia5 s HIS 151 CO 0.00 -0.19 1.06 -0.80 -0.85 0.00 0.00 174.74 173.97 3ia5 s ASN 152 N -0.67 6.40 0.07 1.40 0.01 -1.26 -3.82 114.94 117.07 3ia5 s ASN 152 Ca -0.08 2.03 -0.10 0.00 -0.71 0.00 0.00 52.86 54.00 3ia5 s ASN 152 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3ia5 s ASN 152 CO 0.01 -0.75 0.22 -0.72 -1.51 0.00 0.00 177.10 174.35 3ia5 s TYR 153 N -1.81 0.07 -0.05 2.20 1.13 -0.86 -1.09 117.35 116.94 3ia5 s TYR 153 Ca 0.64 -0.40 -0.00 0.00 -1.41 0.00 0.00 57.07 55.90 3ia5 s TYR 153 Cb -0.20 -0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.67 3ia5 s TYR 153 CO 0.24 -0.52 -0.00 0.50 -2.51 0.00 0.00 175.55 173.27 3ia5 s ARG 154 N -3.34 0.46 0.02 -3.49 3.52 -0.03 -0.34 118.95 115.75 3ia5 s ARG 154 Ca 0.01 0.09 -0.17 0.00 -0.13 0.00 0.00 55.73 55.52 3ia5 s ARG 154 Cb 0.02 -0.71 -0.06 0.00 -1.56 0.00 0.00 34.95 32.64 3ia5 s ARG 154 CO -0.08 -0.20 0.50 0.12 -0.81 0.00 0.00 175.30 174.83 3ia5 s PHE 155 N 1.43 3.75 -0.02 5.12 5.36 0.49 -0.38 117.98 133.72 3ia5 s PHE 155 Ca -0.04 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.07 3ia5 s PHE 155 Cb -0.13 -2.42 0.02 0.00 -0.34 0.00 0.00 43.02 40.15 3ia5 s PHE 155 CO -0.03 0.57 -0.00 0.45 -1.46 0.00 0.00 175.22 174.74 3ia5 s SER 156 N -0.91 0.39 -0.30 6.13 0.15 0.27 -0.69 113.70 118.74 3ia5 s SER 156 Ca 0.27 -0.03 -0.07 0.00 0.70 0.00 0.00 55.95 56.81 3ia5 s SER 156 Cb -0.18 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 3ia5 s SER 156 CO 0.16 -0.07 0.10 -0.22 1.20 0.00 0.00 173.24 174.40 3ia5 s LEU 157 N 0.80 3.93 -0.09 3.45 2.96 -0.34 -0.48 118.68 128.91 3ia5 s LEU 157 Ca -0.08 -0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 53.12 3ia5 s LEU 157 Cb -0.11 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3ia5 s LEU 157 CO -0.01 -0.20 0.01 -0.76 -1.32 0.00 0.00 176.35 174.06 3ia5 s LEU 158 N 1.52 3.62 -0.07 -0.68 1.43 0.18 -0.68 118.68 123.99 3ia5 s LEU 158 Ca 0.03 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3ia5 s LEU 158 Cb -0.17 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3ia5 s LEU 158 CO 0.03 0.38 -0.15 -0.70 0.23 0.00 0.00 176.35 176.14 3ia5 s GLU 159 N -0.87 2.75 0.19 1.70 2.12 0.73 -1.08 118.70 124.24 3ia5 s GLU 159 Ca 0.13 -0.71 -0.31 0.00 0.36 0.00 0.00 54.97 54.44 3ia5 s GLU 159 Cb -0.11 -2.43 -0.09 0.00 0.26 0.00 0.00 34.13 31.75 3ia5 s GLU 159 CO 0.02 0.49 1.44 0.50 -0.54 0.00 0.00 175.26 177.18 3ia5 s ARG 160 N -0.39 4.29 0.03 4.30 6.06 0.55 0.35 118.95 134.15 3ia5 s ARG 160 Ca 0.04 2.22 -0.30 0.00 -2.50 0.00 0.00 55.73 55.19 3ia5 s ARG 160 Cb -0.12 -3.17 -0.08 0.00 0.06 0.00 0.00 34.95 31.64 3ia5 s ARG 160 CO 0.02 -0.45 1.72 0.08 -2.50 0.00 0.00 175.30 174.18 3ia5 s VAL 161 N 0.59 3.15 0.00 7.11 1.01 -0.45 -4.79 120.40 127.01 3ia5 s VAL 161 Ca 0.63 0.43 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3ia5 s VAL 161 Cb -0.40 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3ia5 s VAL 161 CO 0.36 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.73