#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa8 s HIS 2 N 0.00 -0.24 -0.20 1.61 5.65 -1.26 -5.12 115.29 115.73 1xa8 s HIS 2 Ca 0.00 0.46 0.13 0.00 0.25 0.00 0.00 55.06 55.90 1xa8 s HIS 2 Cb 0.00 0.46 -0.22 0.00 -1.18 0.00 0.00 32.58 31.64 1xa8 s HIS 2 CO 0.00 -0.20 -0.00 -1.33 -0.65 0.00 0.00 174.74 172.56 1xa8 n MET 3 N 0.94 0.80 -5.17 2.88 2.00 -1.26 -4.97 117.12 112.34 1xa8 n MET 3 Ca -0.07 0.03 -0.32 0.00 0.00 0.00 0.00 57.70 57.34 1xa8 n MET 3 Cb 0.58 -1.49 -0.16 0.00 0.00 0.00 0.00 33.22 32.15 1xa8 n MET 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1xa8 s VAL 4 N -2.47 2.26 -0.33 2.03 1.01 -1.26 -5.10 120.40 116.54 1xa8 s VAL 4 Ca -0.15 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.57 1xa8 s VAL 4 Cb 0.06 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1xa8 s VAL 4 CO 0.73 0.57 0.98 -0.62 0.00 0.00 0.00 175.10 176.75 1xa8 s ASP 5 N -0.07 6.80 0.00 3.32 3.68 -1.26 -4.89 116.67 124.24 1xa8 s ASP 5 Ca -0.06 0.83 0.10 0.00 2.13 0.00 0.00 52.55 55.55 1xa8 s ASP 5 Cb -0.14 -2.49 0.05 0.00 -1.45 0.00 0.00 42.92 38.88 1xa8 s ASP 5 CO 0.05 -0.82 0.74 0.41 0.13 0.00 0.00 175.17 175.67 1xa8 n THR 6 N 5.84 0.00 -1.69 1.71 -1.04 -1.26 -4.80 114.28 113.05 1xa8 n THR 6 Ca 0.09 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.05 61.22 1xa8 n THR 6 Cb 0.48 1.17 0.01 0.00 -1.82 0.00 0.00 70.33 70.17 1xa8 n THR 6 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xa8 n SER 7 N 0.27 2.41 0.00 8.00 7.64 -1.26 -2.72 113.62 127.96 1xa8 n SER 7 Ca 0.05 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1xa8 n SER 7 Cb 0.23 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1xa8 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xa8 n GLY 8 N 0.86 0.64 3.63 0.23 0.00 -1.26 -4.99 105.19 104.29 1xa8 n GLY 8 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1xa8 n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xa8 s VAL 9 N -2.04 4.20 0.02 1.61 1.01 -1.10 -5.04 120.40 119.05 1xa8 s VAL 9 Ca 0.00 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 1xa8 s VAL 9 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1xa8 s VAL 9 CO 0.00 -0.56 0.14 -0.54 0.00 0.00 0.00 175.10 174.14 1xa8 s LYS 10 N 4.16 3.23 0.08 2.72 -0.14 -1.26 -5.04 119.74 123.49 1xa8 s LYS 10 Ca 0.53 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 1xa8 s LYS 10 Cb -0.14 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 1xa8 s LYS 10 CO 0.23 0.64 0.00 -0.89 -0.76 0.00 0.00 175.35 174.57 1xa8 n ILE 11 N 0.86 0.61 -3.63 2.17 2.08 -1.26 -4.78 119.36 115.40 1xa8 n ILE 11 Ca -0.10 0.20 -0.15 0.00 0.56 0.00 0.00 62.75 63.26 1xa8 n ILE 11 Cb 0.52 -1.18 -0.07 0.00 -0.75 0.00 0.00 39.64 38.16 1xa8 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1xa8 s HIS 12 N -1.58 -0.70 0.63 1.39 2.46 -1.26 -2.00 115.29 114.23 1xa8 s HIS 12 Ca 0.00 1.61 0.33 0.00 0.47 0.00 0.00 55.06 57.47 1xa8 s HIS 12 Cb 0.00 0.27 1.85 0.00 -0.13 0.00 0.00 32.58 34.57 1xa8 s HIS 12 CO 0.00 -0.40 2.12 -1.00 -2.47 0.00 0.00 174.74 172.99 1xa8 h PRO 13 N 4.68 0.00 0.00 2.88 0.13 -1.98 -0.94 132.00 136.76 1xa8 h PRO 13 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xa8 h PRO 13 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xa8 h PRO 13 CO 0.15 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.92 1xa8 h ALA 14 N 1.71 1.00 0.00 -0.56 0.00 -1.97 -3.29 119.26 116.15 1xa8 h ALA 14 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xa8 h ALA 14 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xa8 h ALA 14 CO -0.00 0.00 -0.45 1.33 0.00 0.00 0.00 179.25 180.13 1xa8 n VAL 15 N -2.33 0.00 -0.04 0.00 0.24 -0.48 -4.36 118.33 111.35 1xa8 n VAL 15 Ca 0.05 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.90 1xa8 n VAL 15 Cb 0.40 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 33.57 1xa8 n VAL 15 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1xa8 h ASP 16 N 0.00 0.25 -2.28 -1.34 3.32 -1.29 -3.36 116.42 111.72 1xa8 h ASP 16 Ca 0.00 -0.38 -0.62 0.00 0.02 0.00 0.00 57.03 56.05 1xa8 h ASP 16 Cb 0.14 -0.07 -0.40 0.00 0.22 0.00 0.00 39.33 39.22 1xa8 h ASP 16 CO 0.00 0.57 -0.43 0.59 -1.72 0.00 0.00 179.24 178.25 1xa8 n ASN 17 N -4.72 4.69 0.00 6.45 4.13 -1.26 -5.01 115.26 119.55 1xa8 n ASN 17 Ca -0.06 -3.64 0.00 0.00 1.68 0.00 0.00 54.58 52.56 1xa8 n ASN 17 Cb 0.26 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1xa8 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xa8 n GLY 18 N 0.01 2.20 3.61 7.41 0.00 -1.26 -5.04 105.19 112.12 1xa8 n GLY 18 Ca 0.32 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1xa8 n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xa8 s ILE 19 N -0.45 4.90 0.01 -0.61 1.01 -1.26 -4.22 121.20 120.57 1xa8 s ILE 19 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 1xa8 s ILE 19 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1xa8 s ILE 19 CO 0.00 0.40 0.95 -0.54 0.00 0.00 0.00 174.94 175.75 1xa8 s LYS 20 N 0.79 4.57 0.65 2.79 1.02 -1.26 -5.05 119.74 123.25 1xa8 s LYS 20 Ca 0.05 1.37 -0.14 0.00 0.02 0.00 0.00 55.97 57.28 1xa8 s LYS 20 Cb -0.13 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1xa8 s LYS 20 CO 0.02 0.01 1.07 -1.25 -0.92 0.00 0.00 175.35 174.28 1xa8 s PRO 21 N 0.81 3.06 0.74 -1.68 0.04 -1.26 -4.52 135.00 132.19 1xa8 s PRO 21 Ca 0.50 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 1xa8 s PRO 21 Cb -0.21 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1xa8 s PRO 21 CO 0.27 -1.02 0.71 0.00 0.04 0.00 0.00 177.00 177.00 1xa8 n ALA 22 N -2.53 -1.08 -2.51 8.56 0.00 -1.19 -4.03 120.51 117.73 1xa8 n ALA 22 Ca 0.09 -0.26 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 1xa8 n ALA 22 Cb 0.53 -1.96 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 1xa8 n ALA 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xa8 s GLN 23 N -3.09 1.82 0.28 0.00 -1.52 -1.00 -4.91 119.66 111.23 1xa8 s GLN 23 Ca 0.68 -1.44 -0.29 0.00 -1.95 0.00 0.00 55.36 52.35 1xa8 s GLN 23 Cb -0.33 -1.99 -0.10 0.00 -0.22 0.00 0.00 33.01 30.37 1xa8 s GLN 23 CO 0.56 0.40 1.36 -1.25 -0.25 0.00 0.00 175.29 176.11 1xa8 s PRO 24 N -2.92 4.32 -1.20 2.91 0.04 -1.26 -3.05 135.00 133.84 1xa8 s PRO 24 Ca 0.24 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1xa8 s PRO 24 Cb -0.08 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1xa8 s PRO 24 CO 0.13 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1xa8 n GLY 25 N 1.53 0.82 3.70 0.56 0.00 -1.26 -4.95 105.19 105.59 1xa8 n GLY 25 Ca 0.03 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1xa8 n GLY 25 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xa8 s PHE 26 N -2.50 3.12 -0.23 1.61 2.19 -1.17 -4.90 117.98 116.10 1xa8 s PHE 26 Ca 0.00 1.03 0.07 0.00 0.33 0.00 0.00 56.93 58.36 1xa8 s PHE 26 Cb 0.00 -3.56 0.15 0.00 -1.31 0.00 0.00 43.02 38.30 1xa8 s PHE 26 CO 0.00 -1.94 1.11 0.00 1.83 0.00 0.00 175.22 176.22 1xa8 n ALA 27 N 4.77 2.16 0.00 11.12 0.00 -1.26 -4.26 120.51 133.04 1xa8 n ALA 27 Ca 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1xa8 n ALA 27 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1xa8 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xa8 n GLY 28 N -0.46 0.30 0.00 0.00 0.00 -1.25 -3.01 105.19 100.77 1xa8 n GLY 28 Ca 0.07 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1xa8 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xa8 n GLY 29 N 0.00 -0.70 3.28 -0.02 0.00 0.78 -4.96 105.19 103.57 1xa8 n GLY 29 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1xa8 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xa8 s THR 30 N -3.00 2.27 -0.12 2.61 2.01 -1.26 0.09 115.64 118.23 1xa8 s THR 30 Ca 0.00 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 60.97 1xa8 s THR 30 Cb 0.00 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1xa8 s THR 30 CO 0.00 0.56 0.12 -0.76 -0.69 0.00 0.00 174.62 173.85 1xa8 s LEU 31 N 0.06 4.28 0.04 4.42 1.02 0.85 -4.13 118.68 125.22 1xa8 s LEU 31 Ca -0.09 0.42 0.03 0.00 0.02 0.00 0.00 54.13 54.51 1xa8 s LEU 31 Cb -0.15 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 1xa8 s LEU 31 CO 0.06 0.40 -0.10 -1.38 0.02 0.00 0.00 176.35 175.34 1xa8 s HIS 32 N -0.96 0.90 0.89 0.29 -3.43 -0.41 -0.34 115.29 112.23 1xa8 s HIS 32 Ca 0.14 -0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 53.88 1xa8 s HIS 32 Cb -0.12 -0.53 0.21 0.00 -1.43 0.00 0.00 32.58 30.70 1xa8 s HIS 32 CO 0.04 -0.01 1.14 0.00 -2.00 0.00 0.00 174.74 173.90 1xa8 n LYS 34 N -3.59 2.09 -2.20 0.00 5.02 -1.26 -4.84 118.16 113.37 1xa8 n LYS 34 Ca 0.14 -1.68 -0.42 0.00 -2.02 0.00 0.00 58.31 54.33 1xa8 n LYS 34 Cb 0.51 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1xa8 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xa8 h SER 36 N 6.46 0.00 -5.02 0.00 4.64 -2.02 -3.39 113.55 114.22 1xa8 h SER 36 Ca -0.43 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.78 1xa8 h SER 36 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 1xa8 h SER 36 CO 0.84 0.00 -0.30 0.42 -0.87 0.00 0.00 176.83 176.92 1xa8 s THR 37 N -4.69 0.07 -1.41 2.95 -4.23 -1.26 -4.94 115.64 102.13 1xa8 s THR 37 Ca -0.05 -0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1xa8 s THR 37 Cb 0.15 -0.74 0.02 0.00 1.34 0.00 0.00 72.50 73.27 1xa8 s THR 37 CO 0.56 -0.34 0.54 0.59 -0.54 0.00 0.00 174.62 175.44 1xa8 n ASN 38 N 0.99 -1.00 -4.78 3.99 3.02 -1.26 -4.99 115.26 111.23 1xa8 n ASN 38 Ca -0.20 -0.95 -0.35 0.00 -0.03 0.00 0.00 54.58 53.05 1xa8 n ASN 38 Cb 0.57 -3.32 -0.02 0.00 -0.61 0.00 0.00 39.78 36.41 1xa8 n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xa8 s PRO 39 N -6.45 3.64 0.31 3.52 0.04 -1.26 -4.78 135.00 130.01 1xa8 s PRO 39 Ca 0.10 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 1xa8 s PRO 39 Cb -0.05 -2.14 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 1xa8 s PRO 39 CO 0.87 -0.60 1.09 0.28 0.04 0.00 0.00 177.00 178.68 1xa8 n VAL 40 N -0.96 2.01 -4.34 -0.36 0.31 -1.26 -4.45 118.33 109.28 1xa8 n VAL 40 Ca 0.10 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.72 1xa8 n VAL 40 Cb 0.51 -1.17 -0.16 0.00 -0.91 0.00 0.00 33.84 32.11 1xa8 n VAL 40 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1xa8 s ARG 41 N -1.67 1.03 -0.03 5.55 0.52 -0.75 -1.97 118.95 121.64 1xa8 s ARG 41 Ca 0.58 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 1xa8 s ARG 41 Cb -0.66 -0.95 0.03 0.00 0.52 0.00 0.00 34.95 33.89 1xa8 s ARG 41 CO 0.61 0.02 -0.01 0.14 0.02 0.00 0.00 175.30 176.08 1xa8 s VAL 42 N 0.54 0.25 0.07 3.52 -7.23 0.54 -0.29 120.40 117.81 1xa8 s VAL 42 Ca -0.09 0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 59.83 1xa8 s VAL 42 Cb -0.12 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.44 1xa8 s VAL 42 CO 0.01 0.16 0.95 0.00 -0.31 0.00 0.00 175.10 175.91 1xa8 s ALA 43 N 0.97 3.23 -0.35 1.32 0.00 -0.49 -0.11 121.76 126.33 1xa8 s ALA 43 Ca -0.10 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1xa8 s ALA 43 Cb -0.14 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 19.81 1xa8 s ALA 43 CO -0.01 -0.08 0.08 0.08 0.00 0.00 0.00 175.76 175.83 1xa8 s VAL 44 N 0.31 1.89 -0.37 0.00 1.01 0.11 -1.85 120.40 121.51 1xa8 s VAL 44 Ca 0.48 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.34 1xa8 s VAL 44 Cb -0.22 -2.40 0.54 0.00 0.00 0.00 0.00 36.38 34.30 1xa8 s VAL 44 CO 0.29 -0.65 1.62 0.54 0.00 0.00 0.00 175.10 176.90 1xa8 n ARG 45 N 4.30 2.56 -4.10 2.72 1.74 -0.16 -0.16 116.66 123.57 1xa8 n ARG 45 Ca 0.03 -2.30 -0.10 0.00 -0.77 0.00 0.00 57.85 54.70 1xa8 n ARG 45 Cb 0.41 -1.95 -0.09 0.00 -1.02 0.00 0.00 32.46 29.81 1xa8 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xa8 s ALA 46 N -2.44 0.62 0.47 7.54 0.00 -1.17 -4.73 121.76 122.05 1xa8 s ALA 46 Ca 0.42 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 1xa8 s ALA 46 Cb 0.35 0.94 -0.08 0.00 0.00 0.00 0.00 23.12 24.32 1xa8 s ALA 46 CO 0.09 -0.56 1.05 -1.14 0.00 0.00 0.00 175.76 175.20 1xa8 s GLN 47 N -4.04 3.84 0.58 0.00 2.00 -1.26 -3.86 119.66 116.92 1xa8 s GLN 47 Ca 0.24 1.40 0.04 0.00 -2.00 0.00 0.00 55.36 55.05 1xa8 s GLN 47 Cb 0.06 -2.17 0.07 0.00 0.80 0.00 0.00 33.01 31.77 1xa8 s GLN 47 CO 0.03 -0.41 0.80 0.95 -0.50 0.00 0.00 175.29 176.16 1xa8 s THR 48 N -1.91 2.43 0.08 -0.34 -4.23 -1.26 -4.90 115.64 105.52 1xa8 s THR 48 Ca 0.66 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 1xa8 s THR 48 Cb -0.18 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 1xa8 s THR 48 CO 0.22 0.00 0.06 0.00 -0.54 0.00 0.00 174.62 174.35 1xa8 s ALA 49 N -2.77 0.40 -1.45 3.99 0.00 -0.58 -4.48 121.76 116.88 1xa8 s ALA 49 Ca 0.61 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1xa8 s ALA 49 Cb -0.08 0.49 0.05 0.00 0.00 0.00 0.00 23.12 23.59 1xa8 s ALA 49 CO 0.39 -0.45 0.87 0.72 0.00 0.00 0.00 175.76 177.30 1xa8 n HIS 50 N 0.00 -2.16 -2.37 0.00 8.25 -1.26 -0.10 115.22 117.59 1xa8 n HIS 50 Ca -0.12 0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 57.83 1xa8 n HIS 50 Cb 0.62 -4.15 -0.03 0.00 1.12 0.00 0.00 29.99 27.55 1xa8 n HIS 50 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xa8 s ASN 51 N -3.71 6.86 0.11 0.41 2.47 -1.26 -4.32 114.94 115.49 1xa8 s ASN 51 Ca 0.41 2.33 -0.26 0.00 0.42 0.00 0.00 52.86 55.76 1xa8 s ASN 51 Cb -0.20 -2.62 0.07 0.00 -1.45 0.00 0.00 41.25 37.05 1xa8 s ASN 51 CO 0.82 -0.44 0.88 -1.38 -3.72 0.00 0.00 177.10 173.26 1xa8 s HIS 52 N -1.32 -0.25 -0.06 0.43 -3.43 -0.90 -0.18 115.29 109.59 1xa8 s HIS 52 Ca 0.51 0.01 -0.06 0.00 -0.80 0.00 0.00 55.06 54.72 1xa8 s HIS 52 Cb -0.31 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1xa8 s HIS 52 CO 0.40 -0.76 0.18 0.14 -2.00 0.00 0.00 174.74 172.70 1xa8 s VAL 53 N -3.33 5.44 -0.02 -5.38 -7.23 -0.94 -1.00 120.40 107.94 1xa8 s VAL 53 Ca 0.08 0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.35 1xa8 s VAL 53 Cb -0.02 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.45 1xa8 s VAL 53 CO -0.03 0.47 -0.02 0.00 -0.31 0.00 0.00 175.10 175.22 1xa8 n GLY 55 N 3.60 -1.30 3.16 0.00 0.00 -0.52 -0.35 105.19 109.77 1xa8 n GLY 55 Ca -0.20 -0.33 -0.51 0.00 0.00 0.00 0.00 46.02 44.97 1xa8 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 h THR 57 N 2.32 0.90 0.00 0.00 1.35 -1.94 -3.02 112.91 112.52 1xa8 h THR 57 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1xa8 h THR 57 Cb 1.30 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1xa8 h THR 57 CO 0.57 0.00 -0.20 0.29 -0.25 0.00 0.00 175.52 175.94 1xa8 n LYS 58 N -4.48 0.07 -2.69 4.72 5.02 -1.26 -4.90 118.16 114.64 1xa8 n LYS 58 Ca 0.02 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 1xa8 n LYS 58 Cb 0.28 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1xa8 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xa8 s TRP 60 N 0.15 2.75 -0.03 0.00 -0.00 -1.26 -4.86 118.94 115.70 1xa8 s TRP 60 Ca 0.48 1.43 -0.02 0.00 -0.00 0.00 0.00 56.10 57.99 1xa8 s TRP 60 Cb -0.24 -3.63 0.02 0.00 -0.00 0.00 0.00 33.47 29.61 1xa8 s TRP 60 CO 0.30 -2.10 0.07 0.15 -0.00 0.00 0.00 176.95 175.37 1xa8 s LYS 61 N -2.42 0.06 0.72 5.86 1.02 -1.26 -4.53 119.74 119.18 1xa8 s LYS 61 Ca 0.60 0.16 -0.15 0.00 0.02 0.00 0.00 55.97 56.60 1xa8 s LYS 61 Cb -0.37 -0.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1xa8 s LYS 61 CO 0.46 -0.07 1.19 -1.25 -0.92 0.00 0.00 175.35 174.77 1xa8 s PRO 62 N 0.43 2.25 0.11 -1.68 0.04 -1.26 -4.82 135.00 130.08 1xa8 s PRO 62 Ca -0.03 1.71 -0.35 0.00 0.04 0.00 0.00 61.00 62.37 1xa8 s PRO 62 Cb -0.05 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 1xa8 s PRO 62 CO -0.02 -1.74 1.53 0.39 0.04 0.00 0.00 177.00 177.21 1xa8 n GLU 63 N -2.65 1.83 0.00 4.56 -0.58 -1.26 -0.30 120.64 122.24 1xa8 n GLU 63 Ca 0.13 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 1xa8 n GLU 63 Cb 0.50 -2.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.98 1xa8 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xa8 n GLY 64 N 3.22 2.47 3.83 0.62 0.00 -1.26 -5.07 105.19 109.00 1xa8 n GLY 64 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1xa8 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 s ALA 65 N -2.21 3.56 -0.15 4.61 0.00 0.59 -4.97 121.76 123.19 1xa8 s ALA 65 Ca 0.00 -0.03 0.21 0.00 0.00 0.00 0.00 51.96 52.14 1xa8 s ALA 65 Cb 0.00 -2.60 -0.14 0.00 0.00 0.00 0.00 23.12 20.38 1xa8 s ALA 65 CO 0.00 0.42 0.78 -0.89 0.00 0.00 0.00 175.76 176.07 1xa8 n ILE 66 N 1.19 0.64 -4.36 0.00 5.41 -1.19 -4.82 119.36 116.23 1xa8 n ILE 66 Ca -0.07 -0.59 -0.24 0.00 1.00 0.00 0.00 62.75 62.85 1xa8 n ILE 66 Cb 0.51 -0.35 -0.12 0.00 -0.71 0.00 0.00 39.64 38.98 1xa8 n ILE 66 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1xa8 s PHE 67 N -3.25 1.99 0.30 1.39 0.40 -0.85 -4.80 117.98 113.17 1xa8 s PHE 67 Ca -0.04 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1xa8 s PHE 67 Cb 0.10 -1.01 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 1xa8 s PHE 67 CO 0.83 0.37 0.55 0.45 0.70 0.00 0.00 175.22 178.11 1xa8 s SER 68 N -2.52 6.40 -0.25 1.36 0.15 0.52 -4.69 113.70 114.67 1xa8 s SER 68 Ca 0.16 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 1xa8 s SER 68 Cb -0.07 -2.11 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 1xa8 s SER 68 CO 0.07 -0.22 -0.07 -1.58 1.20 0.00 0.00 173.24 172.65 1xa8 s GLN 69 N -3.73 2.73 -0.00 5.44 0.74 -1.26 -0.79 119.66 122.79 1xa8 s GLN 69 Ca 0.43 -1.05 0.02 0.00 0.05 0.00 0.00 55.36 54.81 1xa8 s GLN 69 Cb -0.10 -2.97 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 1xa8 s GLN 69 CO 0.32 -0.43 -0.06 0.54 -0.55 0.00 0.00 175.29 175.10 1xa8 s VAL 70 N 1.29 0.49 0.44 1.34 0.11 -0.17 -4.49 120.40 119.41 1xa8 s VAL 70 Ca -0.01 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1xa8 s VAL 70 Cb -0.17 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1xa8 s VAL 70 CO -0.05 0.12 0.10 0.00 -3.33 0.00 0.00 175.10 171.95 1xa8 n ALA 71 N 2.87 0.54 -2.43 1.54 0.00 -0.50 -2.11 120.51 120.41 1xa8 n ALA 71 Ca -0.13 -2.16 -0.27 0.00 0.00 0.00 0.00 53.44 50.88 1xa8 n ALA 71 Cb 0.58 1.37 -0.15 0.00 0.00 0.00 0.00 19.45 21.25 1xa8 n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xa8 s VAL 72 N -3.03 1.71 0.00 0.00 1.01 0.86 -2.33 120.40 118.63 1xa8 s VAL 72 Ca 0.15 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1xa8 s VAL 72 Cb 0.01 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1xa8 s VAL 72 CO 0.10 0.36 0.01 0.54 0.00 0.00 0.00 175.10 176.11 1xa8 s VAL 73 N -0.65 0.05 0.13 2.92 0.11 0.01 -1.52 120.40 121.45 1xa8 s VAL 73 Ca 0.08 -0.41 -0.35 0.00 -2.93 0.00 0.00 61.98 58.37 1xa8 s VAL 73 Cb -0.09 -0.16 -0.15 0.00 -1.53 0.00 0.00 36.38 34.45 1xa8 s VAL 73 CO 0.00 -0.22 1.42 0.61 -3.33 0.00 0.00 175.10 173.58 1xa8 n GLY 74 N 2.37 0.71 0.24 6.54 0.00 -1.26 -0.17 105.19 113.63 1xa8 n GLY 74 Ca -0.18 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.54 1xa8 n GLY 74 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xa8 h ARG 75 N 4.97 0.17 0.00 1.61 0.11 -1.12 -2.09 114.38 118.02 1xa8 h ARG 75 Ca -0.46 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 1xa8 h ARG 75 Cb 1.30 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 1xa8 h ARG 75 CO 0.81 0.28 -0.09 -0.44 0.10 0.00 0.00 179.97 180.63 1xa8 h ASP 76 N 0.16 0.00 0.32 0.08 3.32 -1.90 -1.00 116.42 117.41 1xa8 h ASP 76 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xa8 h ASP 76 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1xa8 h ASP 76 CO 0.02 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1xa8 n ALA 77 N -2.25 2.25 -2.82 3.45 0.00 -0.79 -4.89 120.51 115.46 1xa8 n ALA 77 Ca -0.02 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 1xa8 n ALA 77 Cb 0.21 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 1xa8 n ALA 77 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xa8 s LEU 78 N -2.42 3.15 -0.10 0.00 1.98 -0.38 -0.99 118.68 119.93 1xa8 s LEU 78 Ca 0.26 -0.11 -0.05 0.00 -2.89 0.00 0.00 54.13 51.34 1xa8 s LEU 78 Cb 0.16 -1.72 0.05 0.00 0.66 0.00 0.00 46.19 45.33 1xa8 s LEU 78 CO 0.33 0.25 0.23 -0.70 -1.89 0.00 0.00 176.35 174.57 1xa8 s GLU 79 N -0.13 0.18 -0.26 1.98 2.12 -0.77 -5.02 118.70 116.80 1xa8 s GLU 79 Ca 0.02 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.57 1xa8 s GLU 79 Cb -0.13 -0.13 -0.00 0.00 0.26 0.00 0.00 34.13 34.12 1xa8 s GLU 79 CO 0.03 -0.17 1.32 0.08 -0.54 0.00 0.00 175.26 175.98 1xa8 s VAL 80 N 1.30 4.13 -0.13 3.70 1.01 -1.26 -1.39 120.40 127.76 1xa8 s VAL 80 Ca -0.09 1.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.94 1xa8 s VAL 80 Cb -0.11 -4.08 -0.26 0.00 0.00 0.00 0.00 36.38 31.93 1xa8 s VAL 80 CO -0.08 -0.38 0.68 -0.07 0.00 0.00 0.00 175.10 175.25 1xa8 h LEU 81 N 10.69 0.12 -7.95 3.92 3.38 -1.00 -3.48 115.31 120.98 1xa8 h LEU 81 Ca -0.27 -0.89 -0.15 0.00 0.09 0.00 0.00 57.88 56.66 1xa8 h LEU 81 Cb 1.10 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 1xa8 h LEU 81 CO 1.02 1.21 -0.61 -1.61 0.09 0.00 0.00 178.44 178.53 1xa8 s GLU 82 N -2.30 0.45 -0.48 1.13 2.02 -1.10 -4.93 118.70 113.48 1xa8 s GLU 82 Ca -0.20 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1xa8 s GLU 82 Cb -0.00 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.40 1xa8 s GLU 82 CO 0.71 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1xa8 n GLY 83 N 1.18 0.39 0.35 -1.39 0.00 -1.26 -1.81 105.19 102.65 1xa8 n GLY 83 Ca -0.21 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.21 1xa8 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 h ALA 84 N 0.15 2.13 0.00 4.61 0.00 -1.93 -1.23 119.26 123.00 1xa8 h ALA 84 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xa8 h ALA 84 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xa8 h ALA 84 CO 0.15 -0.25 0.00 -0.85 0.00 0.00 0.00 179.25 178.30 1xa8 n GLU 85 N -4.46 0.21 0.01 0.00 0.00 -1.26 -3.33 120.64 111.82 1xa8 n GLU 85 Ca 0.08 0.07 0.11 0.00 0.00 0.00 0.00 57.16 57.42 1xa8 n GLU 85 Cb 0.39 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.35 1xa8 n GLU 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1xa8 n LYS 86 N -1.37 0.16 -3.41 3.44 5.02 -0.46 -4.93 118.16 116.61 1xa8 n LYS 86 Ca 0.09 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.04 1xa8 n LYS 86 Cb 0.23 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1xa8 n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xa8 s LEU 87 N -3.48 4.25 0.06 -0.35 1.43 -1.21 -1.28 118.68 118.10 1xa8 s LEU 87 Ca 0.06 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1xa8 s LEU 87 Cb 0.15 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1xa8 s LEU 87 CO 0.80 0.02 -0.06 -1.83 0.23 0.00 0.00 176.35 175.51 1xa8 s GLU 88 N -2.42 0.63 -0.11 1.70 -1.05 0.39 -4.90 118.70 112.95 1xa8 s GLU 88 Ca 0.42 -1.04 -0.23 0.00 -0.15 0.00 0.00 54.97 53.97 1xa8 s GLU 88 Cb -0.13 -0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.42 1xa8 s GLU 88 CO 0.20 -0.02 0.70 0.42 0.95 0.00 0.00 175.26 177.51 1xa8 s ILE 89 N -2.73 5.02 0.06 1.83 1.01 -1.26 -0.51 121.20 124.62 1xa8 s ILE 89 Ca 0.01 1.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.79 1xa8 s ILE 89 Cb -0.01 -4.03 -0.17 0.00 0.01 0.00 0.00 42.46 38.27 1xa8 s ILE 89 CO -0.04 0.19 1.57 0.58 0.00 0.00 0.00 174.94 177.24 1xa8 h VAL 90 N 4.91 0.78 -1.92 2.92 2.07 -1.33 -3.42 116.25 120.27 1xa8 h VAL 90 Ca -0.37 -0.21 -0.27 0.00 0.82 0.00 0.00 66.70 66.67 1xa8 h VAL 90 Cb 1.17 0.90 -0.31 0.00 -1.52 0.00 0.00 31.29 31.54 1xa8 h VAL 90 CO 0.77 0.05 -0.60 0.21 0.02 0.00 0.00 177.57 178.02 1xa8 s ASN 91 N -4.98 1.02 0.46 0.57 3.04 -1.26 -5.01 114.94 108.77 1xa8 s ASN 91 Ca -0.15 -0.69 0.31 0.00 0.04 0.00 0.00 52.86 52.37 1xa8 s ASN 91 Cb 0.04 0.79 1.65 0.00 -1.54 0.00 0.00 41.25 42.19 1xa8 s ASN 91 CO 0.63 -0.36 1.95 0.00 -3.04 0.00 0.00 177.10 176.28 1xa8 h ALA 92 N 8.06 1.00 -0.00 1.71 0.00 -1.94 -2.22 119.26 125.87 1xa8 h ALA 92 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xa8 h ALA 92 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xa8 h ALA 92 CO 0.29 0.00 -0.31 -1.91 0.00 0.00 0.00 179.25 177.31 1xa8 n GLU 93 N -2.60 0.38 -2.75 0.00 4.07 -1.26 -4.92 120.64 113.56 1xa8 n GLU 93 Ca -0.02 -0.19 -0.38 0.00 -0.06 0.00 0.00 57.16 56.51 1xa8 n GLU 93 Cb 0.07 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 29.89 1xa8 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xa8 s ALA 94 N -2.76 3.23 0.32 4.31 0.00 -0.84 -4.96 121.76 121.06 1xa8 s ALA 94 Ca 0.18 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1xa8 s ALA 94 Cb 0.19 -3.20 0.91 0.00 0.00 0.00 0.00 23.12 21.02 1xa8 s ALA 94 CO 0.59 0.14 1.61 -1.35 0.00 0.00 0.00 175.76 176.75 1xa8 h PRO 95 N 3.32 0.10 -4.77 0.00 0.11 -1.91 -3.34 132.00 125.51 1xa8 h PRO 95 Ca -0.47 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.96 1xa8 h PRO 95 Cb 1.20 -0.02 -0.28 0.00 0.11 0.00 0.00 31.00 32.01 1xa8 h PRO 95 CO 0.65 0.07 -0.63 0.42 -0.21 0.00 0.00 178.00 178.30 1xa8 s ILE 96 N -5.84 3.78 -0.34 4.15 1.01 -1.26 -4.29 121.20 118.41 1xa8 s ILE 96 Ca -0.11 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 1xa8 s ILE 96 Cb 0.29 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1xa8 s ILE 96 CO 0.78 0.01 1.08 -1.10 0.00 0.00 0.00 174.94 175.71 1xa8 s GLN 97 N 1.45 4.02 -0.27 2.79 -0.21 -0.24 -4.81 119.66 122.38 1xa8 s GLN 97 Ca 0.01 1.01 -0.18 0.00 0.02 0.00 0.00 55.36 56.21 1xa8 s GLN 97 Cb -0.18 -3.76 -0.02 0.00 1.00 0.00 0.00 33.01 30.05 1xa8 s GLN 97 CO 0.02 -0.96 0.54 1.03 -2.12 0.00 0.00 175.29 173.80 1xa8 s ARG 98 N 3.74 4.01 -0.12 2.91 0.52 -1.26 -0.31 118.95 128.43 1xa8 s ARG 98 Ca 0.46 0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 55.80 1xa8 s ARG 98 Cb -0.12 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.63 1xa8 s ARG 98 CO 0.17 -0.42 0.41 -1.01 0.02 0.00 0.00 175.30 174.47 1xa8 s HIS 99 N 2.38 3.52 0.01 -0.53 3.76 -0.46 -0.76 115.29 123.21 1xa8 s HIS 99 Ca 0.22 0.80 -0.04 0.00 -0.15 0.00 0.00 55.06 55.89 1xa8 s HIS 99 Cb -0.15 -2.45 -0.01 0.00 1.11 0.00 0.00 32.58 31.08 1xa8 s HIS 99 CO 0.10 0.25 0.06 0.50 -0.85 0.00 0.00 174.74 174.80 1xa8 s ARG 100 N 0.36 0.38 -0.13 1.40 3.52 0.34 0.23 118.95 125.04 1xa8 s ARG 100 Ca 0.22 -0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 55.07 1xa8 s ARG 100 Cb -0.15 0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 1xa8 s ARG 100 CO 0.08 -0.08 1.14 0.00 -0.81 0.00 0.00 175.30 175.63 1xa8 h ARG 102 N 7.55 0.00 0.02 0.00 0.11 -1.53 0.71 114.38 121.25 1xa8 h ARG 102 Ca -0.28 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.46 1xa8 h ARG 102 Cb 1.12 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.15 1xa8 h ARG 102 CO 0.92 0.00 -2.02 -0.25 0.10 0.00 0.00 179.97 178.71 1xa8 n ASP 103 N -2.45 1.02 -0.00 0.08 8.00 -1.26 -4.56 116.55 117.37 1xa8 n ASP 103 Ca 0.03 0.21 0.05 0.00 0.71 0.00 0.00 54.79 55.79 1xa8 n ASP 103 Cb 0.32 0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 1xa8 n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xa8 n GLY 105 N 1.63 0.84 3.74 0.00 0.00 0.25 -4.97 105.19 106.67 1xa8 n GLY 105 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xa8 n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xa8 s VAL 106 N -3.32 4.32 -0.07 1.61 1.01 -1.25 -4.63 120.40 118.06 1xa8 s VAL 106 Ca 0.00 2.03 -0.23 0.00 0.00 0.00 0.00 61.98 63.78 1xa8 s VAL 106 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1xa8 s VAL 106 CO 0.00 0.36 0.67 -1.00 0.00 0.00 0.00 175.10 175.13 1xa8 s HIS 107 N -0.33 3.57 -0.15 5.22 3.76 -1.26 -0.11 115.29 125.98 1xa8 s HIS 107 Ca 0.46 1.20 0.16 0.00 -0.15 0.00 0.00 55.06 56.73 1xa8 s HIS 107 Cb -0.25 -2.77 -0.22 0.00 1.11 0.00 0.00 32.58 30.45 1xa8 s HIS 107 CO 0.31 0.10 0.10 -1.33 -0.85 0.00 0.00 174.74 173.07 1xa8 n MET 108 N 3.75 1.09 -3.49 1.40 2.81 0.14 -4.76 117.12 118.06 1xa8 n MET 108 Ca -0.02 -0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.72 1xa8 n MET 108 Cb 0.51 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.55 1xa8 n MET 108 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1xa8 s TYR 109 N -2.53 -0.43 -0.15 2.03 -0.85 -1.21 -4.77 117.35 109.45 1xa8 s TYR 109 Ca -0.08 0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.69 1xa8 s TYR 109 Cb 0.06 0.46 0.02 0.00 0.38 0.00 0.00 41.96 42.87 1xa8 s TYR 109 CO 0.72 -0.79 -0.17 0.20 -1.52 0.00 0.00 175.55 173.99 1xa8 s GLY 110 N -2.71 1.20 -0.01 5.49 0.00 -0.39 -1.36 107.32 109.55 1xa8 s GLY 110 Ca 0.01 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 43.81 1xa8 s GLY 110 CO -0.12 0.32 -0.14 -1.60 0.00 0.00 0.00 173.10 171.57 1xa8 s ARG 111 N 1.23 2.38 -0.29 2.90 3.52 0.57 -1.46 118.95 127.80 1xa8 s ARG 111 Ca 0.01 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 54.75 1xa8 s ARG 111 Cb -0.14 -2.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.92 1xa8 s ARG 111 CO -0.08 0.59 0.07 0.42 -0.81 0.00 0.00 175.30 175.49 1xa8 s ILE 112 N -0.85 3.86 -0.18 4.11 1.01 -1.26 -1.08 121.20 126.80 1xa8 s ILE 112 Ca 0.14 -0.74 0.21 0.00 0.00 0.00 0.00 60.65 60.26 1xa8 s ILE 112 Cb -0.11 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 1xa8 s ILE 112 CO 0.04 0.08 0.88 -0.62 0.00 0.00 0.00 174.94 175.32 1xa8 n GLU 113 N 4.85 0.62 -2.25 2.79 -0.58 -1.26 -4.61 120.64 120.20 1xa8 n GLU 113 Ca -0.15 0.10 -0.43 0.00 -0.42 0.00 0.00 57.16 56.27 1xa8 n GLU 113 Cb 0.48 -1.77 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1xa8 n GLU 113 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1xa8 s ASN 114 N -5.36 6.70 0.47 1.62 3.04 -1.26 -4.90 114.94 115.25 1xa8 s ASN 114 Ca -0.02 1.73 0.32 0.00 0.04 0.00 0.00 52.86 54.93 1xa8 s ASN 114 Cb 0.10 -2.54 1.63 0.00 -1.54 0.00 0.00 41.25 38.90 1xa8 s ASN 114 CO 0.81 -0.97 1.96 0.03 -3.04 0.00 0.00 177.10 175.90 1xa8 h ARG 115 N 9.28 0.00 0.00 0.43 3.08 -2.01 -2.85 114.38 122.31 1xa8 h ARG 115 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1xa8 h ARG 115 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1xa8 h ARG 115 CO 0.98 0.00 -0.80 -0.25 -1.07 0.00 0.00 179.97 178.83 1xa8 n ASP 116 N -2.65 0.63 -4.76 7.04 8.00 -1.26 -4.90 116.55 118.65 1xa8 n ASP 116 Ca -0.01 -0.23 -0.41 0.00 0.71 0.00 0.00 54.79 54.84 1xa8 n ASP 116 Cb 0.10 0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 41.74 1xa8 n ASP 116 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1xa8 s HIS 117 N -3.12 2.78 0.66 1.24 2.46 -1.08 -4.92 115.29 113.32 1xa8 s HIS 117 Ca 0.07 1.04 0.40 0.00 0.47 0.00 0.00 55.06 57.04 1xa8 s HIS 117 Cb 0.15 -3.96 2.17 0.00 -0.13 0.00 0.00 32.58 30.81 1xa8 s HIS 117 CO 0.76 -2.99 2.22 -1.00 -2.47 0.00 0.00 174.74 171.26 1xa8 h PRO 118 N 4.03 0.00 -0.41 2.88 0.13 -1.92 -2.07 132.00 134.64 1xa8 h PRO 118 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1xa8 h PRO 118 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1xa8 h PRO 118 CO 0.72 0.00 0.05 1.19 -0.23 0.00 0.00 178.00 179.73 1xa8 n PHE 119 N -3.01 1.36 -1.91 1.56 3.72 -1.26 -5.01 117.46 112.90 1xa8 n PHE 119 Ca -0.03 -1.20 -0.41 0.00 -0.05 0.00 0.00 57.45 55.76 1xa8 n PHE 119 Cb 0.17 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 1xa8 n PHE 119 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1xa8 s TYR 120 N -3.01 2.92 0.00 1.38 6.14 -0.78 -2.18 117.35 121.82 1xa8 s TYR 120 Ca 0.46 0.90 0.00 0.00 0.64 0.00 0.00 57.07 59.07 1xa8 s TYR 120 Cb 0.39 -3.93 0.00 0.00 0.42 0.00 0.00 41.96 38.84 1xa8 s TYR 120 CO 0.07 -3.09 0.00 0.41 0.64 0.00 0.00 175.55 173.58 1xa8 n GLY 121 N 2.30 3.43 3.45 8.97 0.00 -1.26 -5.06 105.19 117.02 1xa8 n GLY 121 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1xa8 n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xa8 s LEU 122 N 0.00 3.25 0.18 0.99 2.01 -0.93 -0.47 118.68 123.71 1xa8 s LEU 122 Ca 0.00 -0.20 -0.03 0.00 0.01 0.00 0.00 54.13 53.91 1xa8 s LEU 122 Cb 0.00 -1.82 -0.05 0.00 0.01 0.00 0.00 46.19 44.33 1xa8 s LEU 122 CO 0.00 0.07 0.40 -1.81 1.01 0.00 0.00 176.35 176.02 1xa8 s ASP 123 N 0.96 6.45 -0.15 2.29 1.01 0.77 -4.42 116.67 123.58 1xa8 s ASP 123 Ca 0.01 0.54 -0.00 0.00 0.71 0.00 0.00 52.55 53.81 1xa8 s ASP 123 Cb -0.14 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1xa8 s ASP 123 CO 0.02 -0.01 -0.14 -0.36 0.21 0.00 0.00 175.17 174.88 1xa8 s PHE 124 N -1.78 2.80 -0.02 4.23 0.40 -0.53 -0.81 117.98 122.26 1xa8 s PHE 124 Ca 0.40 -0.94 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 1xa8 s PHE 124 Cb -0.12 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1xa8 s PHE 124 CO 0.27 -0.41 0.13 0.14 0.70 0.00 0.00 175.22 176.05 1xa8 s VAL 125 N 0.73 0.06 -0.57 -0.44 -7.23 -0.99 -1.26 120.40 110.71 1xa8 s VAL 125 Ca -0.06 -0.46 -0.15 0.00 -1.81 0.00 0.00 61.98 59.50 1xa8 s VAL 125 Cb -0.15 -0.35 0.14 0.00 0.56 0.00 0.00 36.38 36.58 1xa8 s VAL 125 CO 0.01 -0.25 0.52 -1.00 -0.31 0.00 0.00 175.10 174.07 1xa8 s HIS 126 N -0.87 3.32 -2.00 2.82 3.76 -1.26 -1.41 115.29 119.65 1xa8 s HIS 126 Ca -0.10 -1.41 0.30 0.00 -0.15 0.00 0.00 55.06 53.70 1xa8 s HIS 126 Cb -0.05 -3.78 1.78 0.00 1.11 0.00 0.00 32.58 31.64 1xa8 s HIS 126 CO 0.01 -1.01 2.12 0.25 -0.85 0.00 0.00 174.74 175.26 1xa8 n THR 127 N 5.08 0.00 0.29 1.30 -2.24 -1.26 -1.65 114.28 115.80 1xa8 n THR 127 Ca -0.10 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.84 1xa8 n THR 127 Cb 0.41 -0.51 0.80 0.00 -2.10 0.00 0.00 70.33 68.93 1xa8 n THR 127 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1xa8 h GLU 128 N 0.00 0.00 -0.01 -0.78 4.11 -1.91 -2.70 114.58 113.29 1xa8 h GLU 128 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xa8 h GLU 128 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xa8 h GLU 128 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.36 1xa8 n LEU 129 N -2.68 0.34 -4.87 3.06 4.77 -0.66 -4.75 117.00 112.21 1xa8 n LEU 129 Ca -0.01 -0.12 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 1xa8 n LEU 129 Cb 0.13 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1xa8 n LEU 129 CO 0.18 0.06 0.06 -0.55 -1.33 0.00 0.00 177.39 175.81 1xa8 s SER 130 N -1.97 6.61 0.11 -1.43 0.15 -1.02 -1.28 113.70 114.87 1xa8 s SER 130 Ca 0.45 0.75 0.25 0.00 0.70 0.00 0.00 55.95 58.10 1xa8 s SER 130 Cb 0.21 -2.16 0.62 0.00 -1.71 0.00 0.00 66.02 62.98 1xa8 s SER 130 CO 0.35 0.17 1.54 0.47 1.20 0.00 0.00 173.24 176.98 1xa8 n ASP 131 N 0.88 0.61 -4.82 5.45 8.00 -1.26 -4.90 116.55 120.50 1xa8 n ASP 131 Ca -0.08 0.24 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 1xa8 n ASP 131 Cb 0.52 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 1xa8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xa8 s GLU 132 N -3.10 4.19 0.40 -1.24 8.01 -1.26 -5.11 118.70 120.58 1xa8 s GLU 132 Ca 0.09 0.75 -0.03 0.00 0.01 0.00 0.00 54.97 55.80 1xa8 s GLU 132 Cb 0.14 -3.00 -0.04 0.00 -4.31 0.00 0.00 34.13 26.93 1xa8 s GLU 132 CO 0.66 0.48 0.66 -0.51 0.01 0.00 0.00 175.26 176.56 1xa8 s ASP 133 N -1.52 6.30 0.00 -0.19 1.01 -1.26 -4.73 116.67 116.28 1xa8 s ASP 133 Ca 0.38 0.71 0.00 0.00 0.71 0.00 0.00 52.55 54.35 1xa8 s ASP 133 Cb -0.17 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1xa8 s ASP 133 CO 0.20 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1xa8 n GLY 134 N -1.90 1.21 3.77 0.21 0.00 -1.26 -4.91 105.19 102.32 1xa8 n GLY 134 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1xa8 n GLY 134 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xa8 s TRP 135 N -1.52 2.62 0.25 1.61 0.52 -1.26 -2.38 118.94 118.77 1xa8 s TRP 135 Ca 0.00 1.55 -0.30 0.00 0.02 0.00 0.00 56.10 57.37 1xa8 s TRP 135 Cb 0.00 -3.12 -0.14 0.00 -1.15 0.00 0.00 33.47 29.06 1xa8 s TRP 135 CO 0.00 -1.71 1.23 0.43 0.02 0.00 0.00 176.95 176.92 1xa8 n SER 136 N -2.80 2.04 -4.92 2.95 7.64 -1.26 -3.16 113.62 114.10 1xa8 n SER 136 Ca 0.10 1.16 -0.26 0.00 1.01 0.00 0.00 58.87 60.87 1xa8 n SER 136 Cb 0.52 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.37 1xa8 n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xa8 s ALA 137 N -0.46 3.50 0.44 -0.43 0.00 -1.26 -4.80 121.76 118.75 1xa8 s ALA 137 Ca 0.66 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1xa8 s ALA 137 Cb -0.71 -2.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 1xa8 s ALA 137 CO 0.54 -0.21 1.40 -1.25 0.00 0.00 0.00 175.76 176.24 1xa8 s PRO 138 N -4.53 3.77 -0.04 0.00 0.04 -1.26 -4.42 135.00 128.56 1xa8 s PRO 138 Ca 0.45 2.35 0.09 0.00 0.04 0.00 0.00 61.00 63.93 1xa8 s PRO 138 Cb -0.10 -2.69 -0.13 0.00 0.04 0.00 0.00 34.50 31.62 1xa8 s PRO 138 CO 0.41 -0.73 0.14 0.39 0.04 0.00 0.00 177.00 177.26 1xa8 n GLU 139 N -0.10 1.11 -3.80 4.56 1.02 0.75 -4.87 120.64 119.31 1xa8 n GLU 139 Ca 0.05 -0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1xa8 n GLU 139 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1xa8 n GLU 139 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1xa8 s PHE 140 N -2.50 -0.03 -0.06 -0.32 -0.12 -1.26 -4.40 117.98 109.29 1xa8 s PHE 140 Ca -0.04 -0.33 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 1xa8 s PHE 140 Cb 0.05 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 43.10 1xa8 s PHE 140 CO 0.38 -0.90 -0.22 0.00 -0.05 0.00 0.00 175.22 174.44 1xa8 s ALA 141 N -2.77 2.32 0.25 1.99 0.00 -0.69 -2.22 121.76 120.64 1xa8 s ALA 141 Ca 0.16 -1.02 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1xa8 s ALA 141 Cb -0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1xa8 s ALA 141 CO 0.04 0.44 -0.18 0.00 0.00 0.00 0.00 175.76 176.06 1xa8 s ALA 142 N -0.28 2.76 -1.60 0.00 0.00 -0.30 -1.68 121.76 120.67 1xa8 s ALA 142 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.07 1xa8 s ALA 142 Cb -0.13 -0.36 0.09 0.00 0.00 0.00 0.00 23.12 22.72 1xa8 s ALA 142 CO 0.03 0.32 0.60 1.19 0.00 0.00 0.00 175.76 177.89 1xa8 n PHE 143 N -0.43 -1.66 -0.16 0.00 3.72 -0.15 -1.43 117.46 117.35 1xa8 n PHE 143 Ca -0.07 0.76 -0.07 0.00 -0.05 0.00 0.00 57.45 58.02 1xa8 n PHE 143 Cb 0.59 -3.18 0.01 0.00 -0.94 0.00 0.00 39.48 35.96 1xa8 n PHE 143 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xa8 h VAL 144 N -1.63 1.15 0.00 -4.37 2.07 -1.65 -2.40 116.25 109.42 1xa8 h VAL 144 Ca -0.61 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1xa8 h VAL 144 Cb 1.38 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1xa8 h VAL 144 CO 0.73 0.15 -0.07 0.77 0.02 0.00 0.00 177.57 179.17 1xa8 h SER 145 N 0.65 0.00 -0.04 0.57 4.64 -1.83 -3.09 113.55 114.44 1xa8 h SER 145 Ca 0.17 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1xa8 h SER 145 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1xa8 h SER 145 CO -0.03 0.07 0.05 0.28 -0.87 0.00 0.00 176.83 176.33 1xa8 h SER 146 N 0.00 0.00 -0.44 4.97 0.02 -1.70 -2.84 113.55 113.56 1xa8 h SER 146 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xa8 h SER 146 Cb 0.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1xa8 h SER 146 CO 0.01 0.00 0.24 0.16 -1.14 0.00 0.00 176.83 176.10 1xa8 h ILE 147 N 0.00 1.15 -1.02 3.27 3.07 -1.63 0.19 117.51 122.54 1xa8 h ILE 147 Ca 0.02 -0.39 0.27 0.00 1.55 0.00 0.00 64.86 66.30 1xa8 h ILE 147 Cb 0.12 0.53 -0.08 0.00 -0.27 0.00 0.00 36.82 37.13 1xa8 h ILE 147 CO -0.00 0.17 0.68 0.40 -1.05 0.00 0.00 178.15 178.35 1xa8 h ILE 148 N 0.65 0.54 0.00 0.16 2.04 -1.68 -1.38 117.51 117.84 1xa8 h ILE 148 Ca 0.17 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1xa8 h ILE 148 Cb 0.04 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1xa8 h ILE 148 CO -0.03 0.05 0.00 -0.33 0.00 0.00 0.00 178.15 177.85 1xa8 h GLU 149 N 0.29 0.00 -0.52 2.37 5.08 -0.80 -0.71 114.58 120.29 1xa8 h GLU 149 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1xa8 h GLU 149 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1xa8 h GLU 149 CO -0.20 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.24 1xa8 n SER 150 N -2.93 5.06 0.00 1.42 7.64 -0.55 -4.98 113.62 119.28 1xa8 n SER 150 Ca 0.02 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.09 1xa8 n SER 150 Cb 0.36 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1xa8 n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xa8 n GLY 151 N 0.51 0.70 3.71 0.23 0.00 -0.27 -5.05 105.19 105.02 1xa8 n GLY 151 Ca 0.26 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1xa8 n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xa8 s VAL 152 N -2.00 3.65 0.12 1.61 1.01 -1.07 -4.98 120.40 118.73 1xa8 s VAL 152 Ca 0.00 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 1xa8 s VAL 152 Cb 0.00 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1xa8 s VAL 152 CO 0.00 0.09 1.62 -0.62 0.00 0.00 0.00 175.10 176.19 1xa8 s ASP 153 N 1.06 6.59 0.56 3.32 2.15 -1.26 -4.25 116.67 124.84 1xa8 s ASP 153 Ca 0.62 2.56 0.30 0.00 0.43 0.00 0.00 52.55 56.46 1xa8 s ASP 153 Cb -0.33 -2.58 1.46 0.00 -0.30 0.00 0.00 42.92 41.17 1xa8 s ASP 153 CO 0.30 -0.86 1.87 1.55 -0.17 0.00 0.00 175.17 177.86 1xa8 h PRO 154 N 7.58 0.00 0.00 4.34 0.13 -1.95 0.19 132.00 142.29 1xa8 h PRO 154 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xa8 h PRO 154 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xa8 h PRO 154 CO 0.92 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.35 1xa8 h SER 155 N 0.00 0.00 0.39 1.44 4.64 -2.04 -3.01 113.55 114.96 1xa8 h SER 155 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1xa8 h SER 155 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1xa8 h SER 155 CO -0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1xa8 n ARG 156 N -2.49 0.60 0.16 4.77 1.74 0.67 -4.41 116.66 117.71 1xa8 n ARG 156 Ca 0.01 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.13 1xa8 n ARG 156 Cb 0.20 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.34 1xa8 n ARG 156 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1xa8 h MET 157 N 0.00 0.00 -0.17 5.56 2.86 -1.69 -2.57 114.93 118.92 1xa8 h MET 157 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 1xa8 h MET 157 Cb 0.19 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.86 1xa8 h MET 157 CO 0.00 0.47 -0.66 1.49 1.06 0.00 0.00 176.91 179.27 1xa8 h GLU 158 N 0.00 0.75 -0.00 1.72 4.81 -1.83 -2.17 114.58 117.85 1xa8 h GLU 158 Ca -0.00 -0.58 -0.22 0.00 -0.13 0.00 0.00 59.36 58.43 1xa8 h GLU 158 Cb 1.13 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xa8 h GLU 158 CO 0.06 1.19 -0.92 0.00 -0.73 0.00 0.00 179.01 178.61 1xa8 h ALA 159 N 0.56 0.40 -0.42 2.92 0.00 -1.85 -2.70 119.26 118.17 1xa8 h ALA 159 Ca -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1xa8 h ALA 159 Cb 1.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1xa8 h ALA 159 CO 0.14 0.83 0.12 0.82 0.00 0.00 0.00 179.25 181.16 1xa8 h ILE 160 N 0.21 1.22 -0.39 0.00 2.04 -1.45 -2.15 117.51 117.01 1xa8 h ILE 160 Ca -0.07 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 1xa8 h ILE 160 Cb 1.55 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1xa8 h ILE 160 CO 0.16 0.27 -0.19 0.03 0.00 0.00 0.00 178.15 178.41 1xa8 h ARG 161 N 0.54 0.75 -0.73 2.37 3.08 -1.43 -2.22 114.38 116.73 1xa8 h ARG 161 Ca 0.13 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1xa8 h ARG 161 Cb 0.29 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1xa8 h ARG 161 CO -0.00 0.89 0.21 0.00 -1.07 0.00 0.00 179.97 180.00 1xa8 h ALA 162 N 1.12 0.99 -0.32 0.04 0.00 -1.49 -2.45 119.26 117.15 1xa8 h ALA 162 Ca 0.10 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1xa8 h ALA 162 Cb 0.69 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xa8 h ALA 162 CO 0.05 0.67 -0.30 -0.09 0.00 0.00 0.00 179.25 179.58 1xa8 h ARG 163 N 1.09 0.78 -0.42 0.00 9.65 -1.34 -2.47 114.38 121.67 1xa8 h ARG 163 Ca 0.23 -0.40 0.05 0.00 -1.10 0.00 0.00 59.98 58.76 1xa8 h ARG 163 Cb 0.32 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.83 1xa8 h ARG 163 CO -0.00 1.03 -0.55 -0.07 2.80 0.00 0.00 179.97 183.17 1xa8 h LEU 164 N 0.55 -1.86 -0.99 3.80 3.38 -1.29 -2.24 115.31 116.66 1xa8 h LEU 164 Ca 0.05 0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1xa8 h LEU 164 Cb 0.88 0.76 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 1xa8 h LEU 164 CO 0.08 -0.39 0.63 0.03 0.09 0.00 0.00 178.44 178.87 1xa8 h ARG 165 N -0.38 1.08 -0.15 1.13 3.08 -1.37 -0.60 114.38 117.18 1xa8 h ARG 165 Ca 0.07 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1xa8 h ARG 165 Cb 0.58 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1xa8 h ARG 165 CO -0.60 0.72 0.10 0.93 -1.07 0.00 0.00 179.97 180.05 1xa8 h GLU 166 N 1.12 0.12 -0.01 0.04 5.08 -1.27 -1.87 114.58 117.78 1xa8 h GLU 166 Ca 0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1xa8 h GLU 166 Cb 0.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xa8 h GLU 166 CO -0.19 0.08 -0.05 1.28 -1.00 0.00 0.00 179.01 179.13 1xa8 n LEU 167 N -4.51 0.94 -0.08 1.33 4.77 -0.30 -4.95 117.00 114.21 1xa8 n LEU 167 Ca -0.00 -0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 55.69 1xa8 n LEU 167 Cb 0.14 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1xa8 n LEU 167 CO 0.34 0.16 -0.01 0.61 -1.33 0.00 0.00 177.39 177.17 1xa8 n GLY 168 N 1.18 0.49 3.25 -0.72 0.00 -0.70 -5.01 105.19 103.69 1xa8 n GLY 168 Ca 0.18 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1xa8 n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xa8 s LEU 169 N -0.24 6.22 0.09 0.99 1.43 -0.82 -4.64 118.68 121.71 1xa8 s LEU 169 Ca 0.00 -3.03 -0.32 0.00 -1.03 0.00 0.00 54.13 49.75 1xa8 s LEU 169 Cb 0.00 -2.10 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 1xa8 s LEU 169 CO 0.00 -0.43 1.83 1.21 0.23 0.00 0.00 176.35 179.20 1xa8 n GLU 170 N 3.42 2.66 -2.69 1.70 4.07 -1.26 -3.94 120.64 124.60 1xa8 n GLU 170 Ca 0.15 0.97 -0.42 0.00 -0.06 0.00 0.00 57.16 57.80 1xa8 n GLU 170 Cb 0.42 -2.85 -0.03 0.00 -0.06 0.00 0.00 31.44 28.92 1xa8 n GLU 170 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1xa8 s PRO 171 N 2.90 4.58 0.01 5.31 0.04 -1.26 -1.70 135.00 144.87 1xa8 s PRO 171 Ca 0.84 1.46 0.05 0.00 0.04 0.00 0.00 61.00 63.39 1xa8 s PRO 171 Cb -0.53 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.57 1xa8 s PRO 171 CO 0.40 -0.01 -0.15 0.71 0.04 0.00 0.00 177.00 177.98 1xa8 s TYR 172 N 0.80 1.36 -2.38 0.56 2.02 -0.68 -4.98 117.35 114.05 1xa8 s TYR 172 Ca 0.51 -0.29 0.24 0.00 -0.37 0.00 0.00 57.07 57.16 1xa8 s TYR 172 Cb -0.22 -0.85 0.86 0.00 -0.40 0.00 0.00 41.96 41.35 1xa8 s TYR 172 CO 0.29 0.00 1.62 -0.25 -1.57 0.00 0.00 175.55 175.64 1xa8 n ASP 173 N 2.42 1.65 0.00 2.29 8.00 -1.26 -2.04 116.55 127.61 1xa8 n ASP 173 Ca -0.15 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1xa8 n ASP 173 Cb 0.55 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1xa8 n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xa8 n ALA 174 N 0.30 0.00 -2.85 2.24 0.00 -1.26 -4.17 120.51 114.77 1xa8 n ALA 174 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 1xa8 n ALA 174 Cb 0.35 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.84 1xa8 n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xa8 n LEU 175 N 0.00 0.00 -4.75 0.00 4.77 -1.26 -0.98 117.00 114.78 1xa8 n LEU 175 Ca 0.00 -1.25 -0.33 0.00 -0.03 0.00 0.00 56.01 54.40 1xa8 n LEU 175 Cb 0.00 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1xa8 n LEU 175 CO 0.00 -0.65 0.75 -0.94 -1.33 0.00 0.00 177.39 175.22 1xa8 s SER 176 N -2.95 4.80 0.18 -1.43 1.04 -1.26 -4.72 113.70 109.36 1xa8 s SER 176 Ca 0.33 2.10 -0.13 0.00 0.48 0.00 0.00 55.95 58.72 1xa8 s SER 176 Cb -0.02 -2.56 0.16 0.00 0.10 0.00 0.00 66.02 63.70 1xa8 s SER 176 CO 0.21 -1.84 1.75 -0.65 0.98 0.00 0.00 173.24 173.68 1xa8 h PRO 177 N -0.12 0.33 -0.62 4.02 0.11 -1.98 -0.14 132.00 133.60 1xa8 h PRO 177 Ca -0.47 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1xa8 h PRO 177 Cb 1.26 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 1xa8 h PRO 177 CO 0.53 0.22 -0.24 -1.35 -0.21 0.00 0.00 178.00 176.94 1xa8 h PRO 178 N 0.34 -0.08 -0.50 1.05 0.11 -1.99 -0.22 132.00 130.70 1xa8 h PRO 178 Ca 0.23 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 1xa8 h PRO 178 Cb 0.25 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1xa8 h PRO 178 CO -0.25 -0.05 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.25 1xa8 h LEU 179 N -0.08 1.00 -1.14 2.35 3.38 -1.86 -1.40 115.31 117.55 1xa8 h LEU 179 Ca 0.28 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1xa8 h LEU 179 Cb 0.52 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1xa8 h LEU 179 CO -0.67 1.14 0.59 0.24 0.09 0.00 0.00 178.44 179.83 1xa8 h MET 180 N 0.86 1.08 -0.06 1.13 2.86 -0.78 -2.05 114.93 117.98 1xa8 h MET 180 Ca 0.12 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.52 1xa8 h MET 180 Cb 0.73 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1xa8 h MET 180 CO 0.06 0.71 -0.73 -0.44 1.06 0.00 0.00 176.91 177.57 1xa8 h ASP 181 N 1.11 0.39 -0.56 1.22 5.19 -0.84 -2.83 116.42 120.11 1xa8 h ASP 181 Ca 0.36 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1xa8 h ASP 181 Cb 0.03 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 1xa8 h ASP 181 CO -0.11 0.99 0.29 0.00 -3.12 0.00 0.00 179.24 177.29 1xa8 h ALA 182 N 1.00 0.71 -0.65 3.45 0.00 -1.08 -2.24 119.26 120.45 1xa8 h ALA 182 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1xa8 h ALA 182 Cb 1.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1xa8 h ALA 182 CO 0.12 0.25 0.22 0.82 0.00 0.00 0.00 179.25 180.67 1xa8 h ILE 183 N 0.75 1.24 -0.13 0.00 2.04 -1.34 -1.80 117.51 118.26 1xa8 h ILE 183 Ca 0.19 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 1xa8 h ILE 183 Cb 0.08 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1xa8 h ILE 183 CO -0.03 0.31 -0.41 0.00 0.00 0.00 0.00 178.15 178.02 1xa8 h ALA 184 N 1.29 0.23 -0.47 1.87 0.00 -1.53 -2.17 119.26 118.48 1xa8 h ALA 184 Ca 0.22 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1xa8 h ALA 184 Cb 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1xa8 h ALA 184 CO -0.01 0.34 0.18 1.15 0.00 0.00 0.00 179.25 180.90 1xa8 h THR 185 N 0.13 0.86 -1.00 0.00 2.02 -1.36 0.33 112.91 113.89 1xa8 h THR 185 Ca -0.01 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1xa8 h THR 185 Cb 1.03 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1xa8 h THR 185 CO 0.09 0.06 0.66 -0.74 0.37 0.00 0.00 175.52 175.96 1xa8 h HIS 186 N 0.36 1.23 -0.17 3.16 6.17 -1.33 -1.20 115.15 123.37 1xa8 h HIS 186 Ca 0.22 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 61.16 1xa8 h HIS 186 Cb 0.21 -0.41 0.01 0.00 2.52 0.00 0.00 27.41 29.73 1xa8 h HIS 186 CO -0.15 0.72 -0.56 0.82 0.71 0.00 0.00 177.93 179.47 1xa8 h ILE 187 N 1.28 1.32 -0.90 6.26 2.04 -0.84 -2.94 117.51 123.73 1xa8 h ILE 187 Ca 0.39 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1xa8 h ILE 187 Cb -0.02 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1xa8 h ILE 187 CO -0.12 0.56 0.50 0.00 0.00 0.00 0.00 178.15 179.09 1xa8 h ALA 188 N 0.56 1.18 0.00 1.87 0.00 -0.14 -1.86 119.26 120.87 1xa8 h ALA 188 Ca -0.02 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1xa8 h ALA 188 Cb 1.19 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1xa8 h ALA 188 CO 0.12 0.66 -0.79 0.87 0.00 0.00 0.00 179.25 180.11 1xa8 h LYS 189 N 1.25 0.00 0.00 0.00 1.57 -1.26 -0.04 116.57 118.09 1xa8 h LYS 189 Ca 0.32 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.99 1xa8 h LYS 189 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xa8 h LYS 189 CO -0.05 0.79 -0.51 0.00 -0.57 0.00 0.00 179.45 179.11 1xa8 h ARG 190 N 0.00 0.00 -0.00 3.15 3.08 -1.32 -2.91 114.38 116.37 1xa8 h ARG 190 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xa8 h ARG 190 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1xa8 h ARG 190 CO 0.10 0.51 -0.38 -1.13 -1.07 0.00 0.00 179.97 178.00 1xa8 n SER 191 N -3.44 0.47 -0.21 7.04 3.41 -0.72 -4.93 113.62 115.24 1xa8 n SER 191 Ca 0.00 -0.22 -0.03 0.00 -0.26 0.00 0.00 58.87 58.37 1xa8 n SER 191 Cb 0.64 0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 1xa8 n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xa8 n GLY 192 N 1.47 0.59 0.00 5.00 0.00 -0.68 -4.90 105.19 106.67 1xa8 n GLY 192 Ca 0.07 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1xa8 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 n ALA 193 N 1.05 2.09 -2.67 4.61 0.00 -0.12 -4.65 120.51 120.82 1xa8 n ALA 193 Ca -0.03 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 1xa8 n ALA 193 Cb 0.16 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 1xa8 n ALA 193 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xa8 s LEU 194 N -2.86 2.03 0.46 0.00 1.02 -0.88 -4.96 118.68 113.49 1xa8 s LEU 194 Ca 0.14 -0.20 -0.25 0.00 0.02 0.00 0.00 54.13 53.85 1xa8 s LEU 194 Cb 0.15 -0.48 -0.08 0.00 0.02 0.00 0.00 46.19 45.80 1xa8 s LEU 194 CO 0.40 0.10 1.44 0.00 0.02 0.00 0.00 176.35 178.30 1xa8 n ALA 195 N 2.76 2.04 1.97 4.21 0.00 -1.26 -4.35 120.51 125.88 1xa8 n ALA 195 Ca -0.14 0.24 0.16 0.00 0.00 0.00 0.00 53.44 53.70 1xa8 n ALA 195 Cb 0.57 -2.40 0.94 0.00 0.00 0.00 0.00 19.45 18.56 1xa8 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50