#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa8 s VAL 4 N 0.00 2.44 -0.13 2.03 0.11 -1.26 -5.11 120.40 118.49 1xa8 s VAL 4 Ca 0.00 -0.89 -0.21 0.00 -2.93 0.00 0.00 61.98 57.95 1xa8 s VAL 4 Cb 0.00 -1.96 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1xa8 s VAL 4 CO 0.00 0.55 0.59 -0.62 -3.33 0.00 0.00 175.10 172.30 1xa8 s ASP 5 N 0.18 6.78 0.00 3.54 3.68 -1.26 -4.99 116.67 124.60 1xa8 s ASP 5 Ca -0.12 0.93 0.15 0.00 2.13 0.00 0.00 52.55 55.65 1xa8 s ASP 5 Cb -0.16 -2.34 0.20 0.00 -1.45 0.00 0.00 42.92 39.16 1xa8 s ASP 5 CO 0.06 -0.12 1.08 0.41 0.13 0.00 0.00 175.17 176.73 1xa8 n THR 6 N 4.03 0.25 -2.17 1.71 -1.04 -1.26 -4.90 114.28 110.91 1xa8 n THR 6 Ca -0.03 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.05 60.94 1xa8 n THR 6 Cb 0.51 1.12 -0.03 0.00 -1.82 0.00 0.00 70.33 70.11 1xa8 n THR 6 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1xa8 s SER 7 N -1.22 6.84 -1.69 8.00 1.04 -1.26 -2.73 113.70 122.69 1xa8 s SER 7 Ca 0.22 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1xa8 s SER 7 Cb 0.14 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1xa8 s SER 7 CO 0.20 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1xa8 n GLY 8 N 1.34 0.94 3.59 7.32 0.00 -1.26 -5.00 105.19 112.12 1xa8 n GLY 8 Ca 0.02 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.72 5.13 -0.11 1.61 1.01 -1.10 -5.07 120.40 119.15 1xa8 s VAL 9 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1xa8 s VAL 9 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1xa8 s VAL 9 CO 0.00 0.07 -0.08 -0.54 0.00 0.00 0.00 175.10 174.55 1xa8 s LYS 10 N 2.15 3.19 -0.10 2.72 -0.14 -1.26 -5.03 119.74 121.27 1xa8 s LYS 10 Ca 0.16 -0.58 -0.11 0.00 -1.36 0.00 0.00 55.97 54.08 1xa8 s LYS 10 Cb -0.16 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.26 1xa8 s LYS 10 CO 0.10 0.41 -0.22 -0.89 -0.76 0.00 0.00 175.35 174.00 1xa8 n ILE 11 N 2.97 1.07 -3.64 2.17 2.08 -1.26 -4.56 119.36 118.18 1xa8 n ILE 11 Ca -0.18 0.25 -0.15 0.00 0.56 0.00 0.00 62.75 63.23 1xa8 n ILE 11 Cb 0.53 -2.03 -0.08 0.00 -0.75 0.00 0.00 39.64 37.31 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 -2.30 -0.60 0.25 1.39 2.46 -1.26 -2.33 115.29 112.90 1xa8 s HIS 12 Ca -0.18 1.31 -0.03 0.00 0.47 0.00 0.00 55.06 56.62 1xa8 s HIS 12 Cb 0.03 0.26 0.48 0.00 -0.13 0.00 0.00 32.58 33.21 1xa8 s HIS 12 CO 0.27 -0.40 1.74 -1.00 -2.47 0.00 0.00 174.74 172.88 1xa8 h PRO 13 N 4.47 0.46 0.00 2.88 0.13 -1.98 -1.98 132.00 135.98 1xa8 h PRO 13 Ca -0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1xa8 h PRO 13 Cb 1.16 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1xa8 h PRO 13 CO 0.23 0.31 0.03 0.00 -0.23 0.00 0.00 178.00 178.34 1xa8 h ALA 14 N 1.55 1.03 0.00 -0.56 0.00 -1.97 -2.54 119.26 116.77 1xa8 h ALA 14 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1xa8 h ALA 14 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xa8 h ALA 14 CO -0.40 -0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.16 1xa8 n VAL 15 N -2.66 0.00 0.31 0.00 0.24 -0.81 -4.66 118.33 110.75 1xa8 n VAL 15 Ca -0.02 -0.46 0.20 0.00 -2.04 0.00 0.00 64.34 62.02 1xa8 n VAL 15 Cb 0.08 1.01 0.98 0.00 -1.47 0.00 0.00 33.84 34.44 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 0.00 -0.28 -1.34 3.45 -0.94 -2.65 116.42 114.66 1xa8 h ASP 16 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xa8 h ASP 16 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1xa8 h ASP 16 CO 0.00 0.01 0.00 0.59 -1.57 0.00 0.00 179.24 178.27 1xa8 n ASN 17 N -3.12 3.79 0.00 6.45 3.02 -1.26 -5.06 115.26 119.08 1xa8 n ASN 17 Ca -0.01 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 1xa8 n ASN 17 Cb 0.17 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1xa8 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xa8 n GLY 18 N -0.31 2.90 3.77 7.41 0.00 -1.00 -5.05 105.19 112.90 1xa8 n GLY 18 Ca 0.20 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1xa8 n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xa8 s ILE 19 N -2.20 4.25 -0.06 -0.61 -5.25 -1.26 -4.52 121.20 111.55 1xa8 s ILE 19 Ca 0.00 1.84 -0.15 0.00 -0.99 0.00 0.00 60.65 61.34 1xa8 s ILE 19 Cb 0.00 -4.19 -0.05 0.00 2.95 0.00 0.00 42.46 41.17 1xa8 s ILE 19 CO 0.00 0.47 0.40 -0.54 -1.79 0.00 0.00 174.94 173.48 1xa8 s LYS 20 N -1.28 4.09 0.57 0.37 1.02 -1.26 -5.06 119.74 118.19 1xa8 s LYS 20 Ca 0.39 0.36 -0.16 0.00 0.02 0.00 0.00 55.97 56.59 1xa8 s LYS 20 Cb -0.23 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 1xa8 s LYS 20 CO 0.28 0.46 1.03 -1.25 -0.92 0.00 0.00 175.35 174.95 1xa8 s PRO 21 N -0.32 3.52 0.71 -1.68 0.04 -1.26 -4.37 135.00 131.64 1xa8 s PRO 21 Ca 0.23 1.09 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1xa8 s PRO 21 Cb -0.16 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1xa8 s PRO 21 CO 0.11 -0.64 1.23 0.00 0.04 0.00 0.00 177.00 177.74 1xa8 s ALA 22 N -2.58 2.18 -0.21 8.56 0.00 -1.24 -4.44 121.76 124.03 1xa8 s ALA 22 Ca 0.61 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 1xa8 s ALA 22 Cb -0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1xa8 s ALA 22 CO 0.37 -1.80 0.20 -1.14 0.00 0.00 0.00 175.76 173.38 1xa8 s GLN 23 N -3.77 4.15 0.12 0.00 0.74 -0.76 -4.95 119.66 115.19 1xa8 s GLN 23 Ca 0.76 -0.15 -0.31 0.00 0.05 0.00 0.00 55.36 55.72 1xa8 s GLN 23 Cb -0.31 -3.49 -0.09 0.00 1.10 0.00 0.00 33.01 30.23 1xa8 s GLN 23 CO 0.44 0.15 1.53 -2.14 -0.55 0.00 0.00 175.29 174.72 1xa8 s PRO 24 N 0.78 4.24 0.00 1.67 0.02 -1.26 -1.53 135.00 138.92 1xa8 s PRO 24 Ca 0.10 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1xa8 s PRO 24 Cb -0.13 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1xa8 s PRO 24 CO 0.03 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1xa8 n GLY 25 N 3.75 0.78 3.62 0.52 0.00 -1.26 -5.05 105.19 107.55 1xa8 n GLY 25 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1xa8 n GLY 25 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xa8 n PHE 26 N -2.43 1.59 -1.84 1.61 -0.00 -0.58 -4.91 117.46 110.90 1xa8 n PHE 26 Ca 0.00 0.62 0.04 0.00 -0.00 0.00 0.00 57.45 58.11 1xa8 n PHE 26 Cb 0.00 -2.32 0.07 0.00 -0.00 0.00 0.00 39.48 37.23 1xa8 n PHE 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xa8 n ALA 27 N 0.90 2.39 0.00 3.13 0.00 -1.26 -4.27 120.51 121.40 1xa8 n ALA 27 Ca 0.11 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.50 1xa8 n ALA 27 Cb 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.39 -1.27 0.00 0.00 0.00 -1.25 -3.33 105.19 98.95 1xa8 n GLY 28 Ca 0.08 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 1.21 2.99 -0.02 0.00 0.97 -4.95 105.19 105.38 1xa8 n GLY 29 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.47 0.80 -0.09 2.61 2.01 -1.26 -0.71 115.64 117.53 1xa8 s THR 30 Ca 0.00 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 1xa8 s THR 30 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1xa8 s THR 30 CO 0.00 0.26 0.01 -0.76 -0.69 0.00 0.00 174.62 173.44 1xa8 s LEU 31 N 0.36 3.62 -0.02 4.42 1.02 0.81 -4.27 118.68 124.63 1xa8 s LEU 31 Ca -0.06 0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.28 1xa8 s LEU 31 Cb -0.10 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1xa8 s LEU 31 CO 0.01 0.36 -0.16 -1.00 0.02 0.00 0.00 176.35 175.58 1xa8 s HIS 32 N -0.78 1.44 0.98 0.29 3.76 -0.58 0.02 115.29 120.42 1xa8 s HIS 32 Ca 0.12 -0.30 -0.13 0.00 -0.15 0.00 0.00 55.06 54.60 1xa8 s HIS 32 Cb -0.12 -0.94 0.18 0.00 1.11 0.00 0.00 32.58 32.82 1xa8 s HIS 32 CO 0.02 -0.05 1.12 0.00 -0.85 0.00 0.00 174.74 174.99 1xa8 n LYS 34 N -4.03 1.80 -2.65 0.00 5.02 -1.26 -4.80 118.16 112.24 1xa8 n LYS 34 Ca 0.07 -0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 55.07 1xa8 n LYS 34 Cb 0.59 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 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 6.81 0.33 -3.81 0.00 0.02 -2.02 -3.40 113.55 111.48 1xa8 h SER 36 Ca -0.41 -0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.15 1xa8 h SER 36 Cb 1.22 -0.07 -0.30 0.00 0.14 0.00 0.00 62.40 63.38 1xa8 h SER 36 CO 0.77 0.22 -0.77 0.42 -1.14 0.00 0.00 176.83 176.33 1xa8 s THR 37 N -5.36 0.61 -1.27 -2.27 -4.23 -1.26 -4.86 115.64 97.00 1xa8 s THR 37 Ca -0.07 -0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1xa8 s THR 37 Cb 0.18 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.48 1xa8 s THR 37 CO 0.73 0.20 0.97 -3.20 -0.54 0.00 0.00 174.62 172.78 1xa8 n ASN 38 N 3.28 -2.76 -4.76 3.99 5.15 -1.26 -4.93 115.26 113.97 1xa8 n ASN 38 Ca -0.18 -0.65 -0.35 0.00 -0.60 0.00 0.00 54.58 52.80 1xa8 n ASN 38 Cb 0.55 -4.83 0.02 0.00 -0.53 0.00 0.00 39.78 34.99 1xa8 n ASN 38 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xa8 s PRO 39 N -5.71 3.09 0.04 1.20 0.04 -1.26 -4.80 135.00 127.60 1xa8 s PRO 39 Ca 0.14 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1xa8 s PRO 39 Cb -0.06 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1xa8 s PRO 39 CO 0.75 -1.09 1.64 0.08 0.04 0.00 0.00 177.00 178.42 1xa8 s VAL 40 N -1.70 3.18 -0.17 -0.36 1.01 -1.26 -4.32 120.40 116.78 1xa8 s VAL 40 Ca 0.75 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1xa8 s VAL 40 Cb -0.27 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1xa8 s VAL 40 CO 0.31 -0.01 -0.16 -0.13 0.00 0.00 0.00 175.10 175.11 1xa8 s ARG 41 N 2.88 3.15 -0.13 2.72 0.52 0.14 -1.28 118.95 126.95 1xa8 s ARG 41 Ca 0.73 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 55.19 1xa8 s ARG 41 Cb -0.38 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.44 1xa8 s ARG 41 CO 0.32 -0.10 -0.18 0.14 0.02 0.00 0.00 175.30 175.49 1xa8 s VAL 42 N 1.09 2.50 -0.17 3.52 -7.23 0.10 0.60 120.40 120.82 1xa8 s VAL 42 Ca -0.00 -0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 59.14 1xa8 s VAL 42 Cb -0.14 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1xa8 s VAL 42 CO -0.05 0.54 0.50 0.00 -0.31 0.00 0.00 175.10 175.78 1xa8 s ALA 43 N 0.53 3.52 -0.53 1.32 0.00 0.36 -0.13 121.76 126.82 1xa8 s ALA 43 Ca -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1xa8 s ALA 43 Cb -0.16 -2.76 0.14 0.00 0.00 0.00 0.00 23.12 20.34 1xa8 s ALA 43 CO 0.04 -0.29 0.31 0.08 0.00 0.00 0.00 175.76 175.91 1xa8 s VAL 44 N 1.29 3.24 -0.54 0.00 1.01 0.11 -1.52 120.40 123.99 1xa8 s VAL 44 Ca 0.25 -2.78 -0.02 0.00 0.00 0.00 0.00 61.98 59.43 1xa8 s VAL 44 Cb -0.15 -3.18 0.31 0.00 0.00 0.00 0.00 36.38 33.35 1xa8 s VAL 44 CO 0.10 -0.79 2.13 0.54 0.00 0.00 0.00 175.10 177.07 1xa8 n ARG 45 N 3.72 2.35 -3.75 2.72 1.74 -0.58 -0.02 116.66 122.84 1xa8 n ARG 45 Ca 0.05 -2.60 -0.10 0.00 -0.77 0.00 0.00 57.85 54.43 1xa8 n ARG 45 Cb 0.38 -2.03 -0.05 0.00 -1.02 0.00 0.00 32.46 29.74 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 -2.89 -0.72 0.53 7.54 0.00 -1.21 -4.80 121.76 120.21 1xa8 s ALA 46 Ca 0.51 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 1xa8 s ALA 46 Cb 0.39 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 24.24 1xa8 s ALA 46 CO -0.08 -0.71 1.28 -1.14 0.00 0.00 0.00 175.76 175.10 1xa8 s GLN 47 N -3.87 3.26 0.64 0.00 2.00 -1.26 -3.85 119.66 116.59 1xa8 s GLN 47 Ca 0.08 2.03 -0.03 0.00 -2.00 0.00 0.00 55.36 55.44 1xa8 s GLN 47 Cb 0.01 -2.22 0.05 0.00 0.80 0.00 0.00 33.01 31.65 1xa8 s GLN 47 CO -0.06 -1.03 0.91 0.95 -0.50 0.00 0.00 175.29 175.56 1xa8 s THR 48 N -1.42 2.43 0.10 -0.34 -4.23 -1.26 -4.81 115.64 106.11 1xa8 s THR 48 Ca 0.71 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 1xa8 s THR 48 Cb -0.35 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.48 1xa8 s THR 48 CO 0.41 0.00 0.07 0.00 -0.54 0.00 0.00 174.62 174.56 1xa8 s ALA 49 N -3.04 0.51 -1.31 3.99 0.00 -0.72 -4.50 121.76 116.69 1xa8 s ALA 49 Ca 0.59 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1xa8 s ALA 49 Cb -0.10 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.66 1xa8 s ALA 49 CO 0.42 -0.47 1.07 0.72 0.00 0.00 0.00 175.76 177.50 1xa8 n HIS 50 N -0.04 -2.52 -2.68 0.00 8.25 -1.26 -1.96 115.22 115.01 1xa8 n HIS 50 Ca -0.10 0.97 -0.40 0.00 -0.26 0.00 0.00 57.72 57.93 1xa8 n HIS 50 Cb 0.63 -4.93 -0.05 0.00 1.12 0.00 0.00 29.99 26.75 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 -3.77 7.54 0.09 0.41 2.47 -1.26 -4.46 114.94 115.95 1xa8 s ASN 51 Ca 0.34 2.02 -0.25 0.00 0.42 0.00 0.00 52.86 55.39 1xa8 s ASN 51 Cb -0.15 -2.61 0.08 0.00 -1.45 0.00 0.00 41.25 37.12 1xa8 s ASN 51 CO 0.74 0.06 0.72 -1.38 -3.72 0.00 0.00 177.10 173.52 1xa8 s HIS 52 N -1.07 -0.46 0.12 0.43 -3.43 -0.77 -0.46 115.29 109.65 1xa8 s HIS 52 Ca 0.42 0.28 -0.19 0.00 -0.80 0.00 0.00 55.06 54.78 1xa8 s HIS 52 Cb -0.27 0.55 -0.07 0.00 -1.43 0.00 0.00 32.58 31.36 1xa8 s HIS 52 CO 0.34 -0.73 0.61 0.14 -2.00 0.00 0.00 174.74 173.10 1xa8 s VAL 53 N -3.49 4.71 -0.09 -5.38 -7.23 -0.82 -1.00 120.40 107.10 1xa8 s VAL 53 Ca 0.03 1.17 -0.01 0.00 -1.81 0.00 0.00 61.98 61.36 1xa8 s VAL 53 Cb -0.01 -3.87 0.03 0.00 0.56 0.00 0.00 36.38 33.09 1xa8 s VAL 53 CO -0.11 0.42 -0.04 0.00 -0.31 0.00 0.00 175.10 175.05 1xa8 n GLY 55 N 4.89 -0.55 3.50 0.00 0.00 0.38 -0.80 105.19 112.60 1xa8 n GLY 55 Ca -0.12 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 0.93 0.42 0.00 0.00 1.35 -1.93 -3.33 112.91 110.34 1xa8 h THR 57 Ca -0.42 -1.21 -0.01 0.00 -0.55 0.00 0.00 66.41 64.22 1xa8 h THR 57 Cb 1.38 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1xa8 h THR 57 CO 0.52 0.20 -0.66 0.11 -0.25 0.00 0.00 175.52 175.44 1xa8 h LYS 58 N 0.00 0.00 -5.74 4.72 1.57 -1.99 -3.47 116.57 111.66 1xa8 h LYS 58 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1xa8 h LYS 58 Cb 0.88 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 1xa8 h LYS 58 CO 0.03 0.01 -0.39 0.00 -0.57 0.00 0.00 179.45 178.53 1xa8 n TRP 60 N 2.02 2.20 -4.63 0.00 -0.00 -1.26 -4.86 117.44 110.91 1xa8 n TRP 60 Ca -0.18 0.30 -0.26 0.00 -0.00 0.00 0.00 57.50 57.36 1xa8 n TRP 60 Cb 0.54 -2.53 -0.14 0.00 -0.00 0.00 0.00 31.31 29.18 1xa8 n TRP 60 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1xa8 s LYS 61 N 1.01 1.38 0.94 5.87 1.02 -1.26 -4.48 119.74 124.23 1xa8 s LYS 61 Ca 0.80 -0.96 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 1xa8 s LYS 61 Cb -0.71 -1.51 0.16 0.00 -0.52 0.00 0.00 37.83 35.25 1xa8 s LYS 61 CO 0.39 0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 175.05 1xa8 s PRO 62 N -1.22 0.87 -0.37 -1.68 0.04 -1.26 -4.88 135.00 126.49 1xa8 s PRO 62 Ca 0.07 0.78 -0.41 0.00 0.04 0.00 0.00 61.00 61.48 1xa8 s PRO 62 Cb -0.09 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.52 1xa8 s PRO 62 CO 0.02 -2.50 1.90 0.39 0.04 0.00 0.00 177.00 176.85 1xa8 n GLU 63 N -4.05 0.73 0.00 4.56 -0.58 -1.26 -2.56 120.64 117.48 1xa8 n GLU 63 Ca 0.06 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1xa8 n GLU 63 Cb 0.55 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 5.35 2.97 3.64 0.62 0.00 -1.26 -5.05 105.19 111.45 1xa8 n GLY 64 Ca 0.36 -0.79 -0.50 0.00 0.00 0.00 0.00 46.02 45.10 1xa8 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 n ALA 65 N 0.00 0.13 0.25 4.61 0.00 -1.06 -4.90 120.51 119.54 1xa8 n ALA 65 Ca 0.00 0.46 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1xa8 n ALA 65 Cb 0.00 -2.23 0.52 0.00 0.00 0.00 0.00 19.45 17.74 1xa8 n ALA 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1xa8 h ILE 66 N 3.78 0.19 -1.85 0.00 3.07 -1.80 -3.46 117.51 117.45 1xa8 h ILE 66 Ca -0.47 -0.82 -0.60 0.00 1.55 0.00 0.00 64.86 64.52 1xa8 h ILE 66 Cb 1.30 1.69 -0.12 0.00 -0.27 0.00 0.00 36.82 39.41 1xa8 h ILE 66 CO 0.85 0.08 -0.63 -0.36 -1.05 0.00 0.00 178.15 177.04 1xa8 s PHE 67 N -3.58 2.49 0.16 0.16 0.40 -0.98 -4.82 117.98 111.81 1xa8 s PHE 67 Ca 0.02 -0.52 0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1xa8 s PHE 67 Cb 0.09 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1xa8 s PHE 67 CO 0.60 0.49 -0.06 0.45 0.70 0.00 0.00 175.22 177.39 1xa8 s SER 68 N -3.69 4.48 -0.13 1.36 0.15 0.02 -4.71 113.70 111.17 1xa8 s SER 68 Ca 0.34 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.55 1xa8 s SER 68 Cb 0.03 -0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1xa8 s SER 68 CO 0.18 0.12 -0.19 -1.58 1.20 0.00 0.00 173.24 172.97 1xa8 s GLN 69 N -2.72 3.15 -0.16 5.44 0.74 -1.26 0.15 119.66 125.00 1xa8 s GLN 69 Ca 0.25 -0.80 -0.15 0.00 0.05 0.00 0.00 55.36 54.71 1xa8 s GLN 69 Cb -0.10 -2.48 0.04 0.00 1.10 0.00 0.00 33.01 31.58 1xa8 s GLN 69 CO 0.16 0.11 0.43 0.54 -0.55 0.00 0.00 175.29 175.97 1xa8 s VAL 70 N 0.56 -0.00 0.21 1.34 0.11 -0.17 -4.52 120.40 117.92 1xa8 s VAL 70 Ca -0.12 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1xa8 s VAL 70 Cb -0.16 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1xa8 s VAL 70 CO 0.04 0.00 0.06 0.00 -3.33 0.00 0.00 175.10 171.87 1xa8 n ALA 71 N 2.85 0.27 -2.54 1.54 0.00 -0.35 -1.85 120.51 120.43 1xa8 n ALA 71 Ca -0.13 -1.03 -0.23 0.00 0.00 0.00 0.00 53.44 52.04 1xa8 n ALA 71 Cb 0.57 0.68 -0.14 0.00 0.00 0.00 0.00 19.45 20.56 1xa8 n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xa8 s VAL 72 N -2.25 1.34 0.05 0.00 0.11 -0.83 -1.39 120.40 117.43 1xa8 s VAL 72 Ca 0.09 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1xa8 s VAL 72 Cb 0.00 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 1xa8 s VAL 72 CO 0.06 0.23 -0.07 0.54 -3.33 0.00 0.00 175.10 172.54 1xa8 s VAL 73 N -0.61 0.54 0.18 2.04 0.11 -0.12 -1.76 120.40 120.78 1xa8 s VAL 73 Ca 0.05 -1.30 -0.33 0.00 -2.93 0.00 0.00 61.98 57.47 1xa8 s VAL 73 Cb -0.07 -0.88 -0.14 0.00 -1.53 0.00 0.00 36.38 33.76 1xa8 s VAL 73 CO 0.00 -0.53 1.55 0.61 -3.33 0.00 0.00 175.10 173.41 1xa8 n GLY 74 N 1.06 1.08 0.27 6.54 0.00 -1.26 -0.83 105.19 112.04 1xa8 n GLY 74 Ca -0.20 0.61 0.16 0.00 0.00 0.00 0.00 46.02 46.60 1xa8 n GLY 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xa8 h ARG 75 N 5.58 0.00 -0.15 1.61 2.43 -1.74 -1.96 114.38 120.15 1xa8 h ARG 75 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1xa8 h ARG 75 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1xa8 h ARG 75 CO 0.86 0.01 0.00 -0.25 -1.51 0.00 0.00 179.97 179.09 1xa8 n ASP 76 N -3.11 0.82 -0.59 -3.80 8.00 -1.26 -2.27 116.55 114.33 1xa8 n ASP 76 Ca 0.01 -1.98 0.06 0.00 0.71 0.00 0.00 54.79 53.60 1xa8 n ASP 76 Cb 0.35 -0.10 0.17 0.00 -0.02 0.00 0.00 41.12 41.52 1xa8 n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xa8 n ALA 77 N -0.06 2.47 -3.61 2.24 0.00 -0.74 -4.95 120.51 115.86 1xa8 n ALA 77 Ca 0.06 -1.72 -0.34 0.00 0.00 0.00 0.00 53.44 51.44 1xa8 n ALA 77 Cb 0.13 -0.48 -0.15 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.89 2.50 -0.05 0.00 1.98 -0.96 -1.53 118.68 118.74 1xa8 s LEU 78 Ca 0.28 -0.49 -0.00 0.00 -2.89 0.00 0.00 54.13 51.03 1xa8 s LEU 78 Cb 0.21 -1.59 0.03 0.00 0.66 0.00 0.00 46.19 45.50 1xa8 s LEU 78 CO 0.10 0.04 -0.00 -0.70 -1.89 0.00 0.00 176.35 173.90 1xa8 s GLU 79 N 1.07 0.49 -0.35 1.98 2.12 -0.58 -5.02 118.70 118.41 1xa8 s GLU 79 Ca -0.00 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.12 1xa8 s GLU 79 Cb -0.15 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.50 1xa8 s GLU 79 CO -0.04 -0.21 1.27 0.08 -0.54 0.00 0.00 175.26 175.82 1xa8 s VAL 80 N 1.51 4.15 -0.10 3.70 1.01 -1.26 -0.49 120.40 128.91 1xa8 s VAL 80 Ca -0.02 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 1xa8 s VAL 80 Cb -0.13 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 1xa8 s VAL 80 CO -0.03 -0.62 0.01 -0.07 0.00 0.00 0.00 175.10 174.39 1xa8 h LEU 81 N 11.10 0.00 -8.38 3.92 3.38 -0.19 -3.46 115.31 121.68 1xa8 h LEU 81 Ca -0.25 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.17 1xa8 h LEU 81 Cb 1.09 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.57 1xa8 h LEU 81 CO 1.06 0.53 -0.82 -1.61 0.09 0.00 0.00 178.44 177.69 1xa8 s GLU 82 N -1.61 1.23 0.00 1.13 0.41 -1.05 -4.83 118.70 113.98 1xa8 s GLU 82 Ca -0.01 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 1xa8 s GLU 82 Cb 0.00 -1.26 0.00 0.00 -1.78 0.00 0.00 34.13 31.09 1xa8 s GLU 82 CO 0.03 0.33 0.00 0.41 -0.49 0.00 0.00 175.26 175.54 1xa8 n GLY 83 N 2.19 0.47 0.36 -1.39 0.00 -1.26 -0.68 105.19 104.88 1xa8 n GLY 83 Ca -0.16 -0.83 0.19 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 0.00 2.11 0.00 4.61 0.00 -1.89 -1.45 119.26 122.64 1xa8 h ALA 84 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xa8 h ALA 84 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xa8 h ALA 84 CO 0.00 -0.51 0.00 1.05 0.00 0.00 0.00 179.25 179.79 1xa8 h GLU 85 N 0.00 0.00 -0.00 0.00 9.09 -2.01 -3.21 114.58 118.45 1xa8 h GLU 85 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1xa8 h GLU 85 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 1xa8 h GLU 85 CO -0.00 0.00 -0.20 1.63 0.05 0.00 0.00 179.01 180.49 1xa8 n LYS 86 N -2.60 0.40 -3.07 1.06 5.02 -0.54 -4.89 118.16 113.53 1xa8 n LYS 86 Ca 0.04 -0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 55.84 1xa8 n LYS 86 Cb 0.42 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.71 4.06 0.02 -0.35 1.43 -1.21 0.00 118.68 119.92 1xa8 s LEU 87 Ca 0.21 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.51 1xa8 s LEU 87 Cb 0.19 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 42.30 1xa8 s LEU 87 CO 0.54 -0.22 0.38 -1.83 0.23 0.00 0.00 176.35 175.46 1xa8 s GLU 88 N -2.96 0.85 0.16 1.70 -1.05 -0.29 -4.88 118.70 112.23 1xa8 s GLU 88 Ca 0.55 -0.32 -0.27 0.00 -0.15 0.00 0.00 54.97 54.79 1xa8 s GLU 88 Cb -0.10 0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 33.89 1xa8 s GLU 88 CO 0.17 -0.27 0.82 0.42 0.95 0.00 0.00 175.26 177.35 1xa8 s ILE 89 N -2.15 4.38 -0.06 1.83 1.01 -1.26 -0.45 121.20 124.50 1xa8 s ILE 89 Ca -0.07 1.80 -0.23 0.00 0.00 0.00 0.00 60.65 62.14 1xa8 s ILE 89 Cb -0.02 -4.19 -0.18 0.00 0.01 0.00 0.00 42.46 38.08 1xa8 s ILE 89 CO -0.00 0.47 0.95 0.58 0.00 0.00 0.00 174.94 176.94 1xa8 h VAL 90 N 3.48 1.13 -3.27 2.92 2.07 -1.67 -3.43 116.25 117.48 1xa8 h VAL 90 Ca -0.46 -1.32 -0.51 0.00 0.82 0.00 0.00 66.70 65.24 1xa8 h VAL 90 Cb 1.21 1.90 -0.40 0.00 -1.52 0.00 0.00 31.29 32.48 1xa8 h VAL 90 CO 0.68 0.30 -0.77 0.21 0.02 0.00 0.00 177.57 178.01 1xa8 s ASN 91 N -5.65 2.69 0.00 0.57 3.04 -1.26 -5.01 114.94 109.33 1xa8 s ASN 91 Ca -0.14 -0.70 0.16 0.00 0.04 0.00 0.00 52.86 52.21 1xa8 s ASN 91 Cb 0.00 -0.58 0.87 0.00 -1.54 0.00 0.00 41.25 40.00 1xa8 s ASN 91 CO 0.55 -0.28 1.39 0.00 -3.04 0.00 0.00 177.10 175.72 1xa8 n ALA 92 N 5.06 1.98 0.35 1.71 0.00 -1.26 -2.87 120.51 125.49 1xa8 n ALA 92 Ca -0.09 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.30 1xa8 n ALA 92 Cb 0.48 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1xa8 n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xa8 n GLU 93 N -1.13 3.91 -2.63 0.00 -0.58 -1.26 -4.99 120.64 113.96 1xa8 n GLU 93 Ca 0.10 -0.14 -0.40 0.00 -0.42 0.00 0.00 57.16 56.29 1xa8 n GLU 93 Cb 0.08 -0.90 -0.05 0.00 -0.57 0.00 0.00 31.44 30.00 1xa8 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xa8 s ALA 94 N -1.56 3.37 0.38 0.62 0.00 -1.14 -4.95 121.76 118.48 1xa8 s ALA 94 Ca 0.04 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.81 1xa8 s ALA 94 Cb 0.06 -3.26 0.76 0.00 0.00 0.00 0.00 23.12 20.68 1xa8 s ALA 94 CO 0.28 0.04 1.95 -1.35 0.00 0.00 0.00 175.76 176.68 1xa8 h PRO 95 N 4.10 0.42 -5.27 0.00 0.11 -1.94 -3.31 132.00 126.12 1xa8 h PRO 95 Ca -0.46 -0.07 -0.62 0.00 0.11 0.00 0.00 66.00 64.97 1xa8 h PRO 95 Cb 1.21 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 1xa8 h PRO 95 CO 0.68 0.42 -0.11 -1.50 -0.21 0.00 0.00 178.00 177.28 1xa8 s ILE 96 N -5.06 5.11 -0.42 4.15 -1.16 -1.26 -4.46 121.20 118.10 1xa8 s ILE 96 Ca -0.07 0.75 -0.20 0.00 -0.51 0.00 0.00 60.65 60.62 1xa8 s ILE 96 Cb 0.16 -3.77 0.02 0.00 0.61 0.00 0.00 42.46 39.48 1xa8 s ILE 96 CO 0.74 0.12 0.59 -1.10 -2.81 0.00 0.00 174.94 172.47 1xa8 s GLN 97 N 2.21 3.28 -0.32 3.50 -0.21 -0.30 -4.86 119.66 122.96 1xa8 s GLN 97 Ca 0.18 -0.42 -0.21 0.00 0.02 0.00 0.00 55.36 54.93 1xa8 s GLN 97 Cb -0.16 -3.94 -0.00 0.00 1.00 0.00 0.00 33.01 29.91 1xa8 s GLN 97 CO 0.09 -0.93 0.68 1.03 -2.12 0.00 0.00 175.29 174.04 1xa8 s ARG 98 N 2.63 3.86 -0.15 2.91 0.52 -1.26 -0.92 118.95 126.53 1xa8 s ARG 98 Ca 0.20 0.32 -0.16 0.00 -0.52 0.00 0.00 55.73 55.57 1xa8 s ARG 98 Cb -0.15 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 1xa8 s ARG 98 CO 0.17 -0.65 0.38 -1.01 0.02 0.00 0.00 175.30 174.20 1xa8 s HIS 99 N 2.75 3.46 0.01 -0.53 3.76 0.16 -1.56 115.29 123.34 1xa8 s HIS 99 Ca 0.27 0.70 0.01 0.00 -0.15 0.00 0.00 55.06 55.90 1xa8 s HIS 99 Cb -0.14 -2.45 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 1xa8 s HIS 99 CO 0.13 0.17 -0.05 0.50 -0.85 0.00 0.00 174.74 174.64 1xa8 s ARG 100 N 0.68 0.40 -0.11 1.40 3.52 0.40 -0.49 118.95 124.74 1xa8 s ARG 100 Ca 0.20 -0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.17 1xa8 s ARG 100 Cb -0.14 -0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 32.90 1xa8 s ARG 100 CO 0.07 0.07 1.61 0.00 -0.81 0.00 0.00 175.30 176.24 1xa8 h ARG 102 N 9.73 0.00 0.00 0.00 2.43 -0.76 -0.72 114.38 125.06 1xa8 h ARG 102 Ca -0.36 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.62 1xa8 h ARG 102 Cb 1.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1xa8 h ARG 102 CO 0.97 0.00 -1.56 -0.25 -1.51 0.00 0.00 179.97 177.62 1xa8 n ASP 103 N -3.74 1.84 -0.53 -3.80 10.43 -1.26 -4.64 116.55 114.85 1xa8 n ASP 103 Ca 0.12 0.31 0.12 0.00 2.57 0.00 0.00 54.79 57.92 1xa8 n ASP 103 Cb 0.85 -0.73 0.12 0.00 1.84 0.00 0.00 41.12 43.21 1xa8 n ASP 103 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xa8 n GLY 105 N 1.38 0.32 3.74 0.00 0.00 -0.28 -4.96 105.19 105.39 1xa8 n GLY 105 Ca 0.11 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.53 3.81 -0.07 1.61 1.01 -1.26 -4.69 120.40 119.29 1xa8 s VAL 106 Ca 0.00 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.29 1xa8 s VAL 106 Cb 0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1xa8 s VAL 106 CO 0.00 0.27 0.79 -1.00 0.00 0.00 0.00 175.10 175.17 1xa8 s HIS 107 N -0.25 3.57 -0.22 5.22 0.09 -1.26 -1.36 115.29 121.07 1xa8 s HIS 107 Ca 0.50 1.37 -0.05 0.00 -0.00 0.00 0.00 55.06 56.87 1xa8 s HIS 107 Cb -0.30 -2.92 -0.19 0.00 -0.00 0.00 0.00 32.58 29.17 1xa8 s HIS 107 CO 0.35 0.01 -0.06 -1.33 -0.00 0.00 0.00 174.74 173.71 1xa8 n MET 108 N 4.05 0.66 -3.80 1.40 2.00 0.35 -4.73 117.12 117.05 1xa8 n MET 108 Ca 0.02 0.23 -0.11 0.00 0.00 0.00 0.00 57.70 57.84 1xa8 n MET 108 Cb 0.51 -1.58 -0.08 0.00 0.00 0.00 0.00 33.22 32.07 1xa8 n MET 108 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 1xa8 s TYR 109 N -2.52 -0.01 -0.21 2.03 -0.85 -1.22 -4.60 117.35 109.98 1xa8 s TYR 109 Ca -0.32 -0.21 -0.07 0.00 -0.52 0.00 0.00 57.07 55.95 1xa8 s TYR 109 Cb 0.09 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 1xa8 s TYR 109 CO 0.63 -0.48 0.06 0.20 -1.52 0.00 0.00 175.55 174.44 1xa8 s GLY 110 N -2.18 1.84 -0.04 5.49 0.00 0.29 -0.67 107.32 112.06 1xa8 s GLY 110 Ca -0.04 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.82 1xa8 s GLY 110 CO -0.05 0.25 -0.17 -1.60 0.00 0.00 0.00 173.10 171.53 1xa8 s ARG 111 N 0.89 2.38 -0.33 2.90 3.52 -0.10 -1.45 118.95 126.77 1xa8 s ARG 111 Ca 0.04 -0.77 -0.11 0.00 -0.13 0.00 0.00 55.73 54.76 1xa8 s ARG 111 Cb -0.14 -2.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 1xa8 s ARG 111 CO 0.03 0.60 0.19 0.42 -0.81 0.00 0.00 175.30 175.73 1xa8 s ILE 112 N -0.72 4.83 -0.05 4.11 1.09 -1.26 -1.15 121.20 128.06 1xa8 s ILE 112 Ca 0.11 -0.40 0.13 0.00 -1.10 0.00 0.00 60.65 59.40 1xa8 s ILE 112 Cb -0.10 -3.50 -0.20 0.00 -1.06 0.00 0.00 42.46 37.60 1xa8 s ILE 112 CO 0.01 0.01 0.80 -0.08 -0.10 0.00 0.00 174.94 175.57 1xa8 h GLU 113 N 8.41 0.00 -6.49 2.79 4.57 -1.97 -3.42 114.58 118.46 1xa8 h GLU 113 Ca -0.31 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.30 1xa8 h GLU 113 Cb 1.15 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.66 1xa8 h GLU 113 CO 0.63 0.50 0.83 1.21 -1.18 0.00 0.00 179.01 181.00 1xa8 s ASN 114 N -6.10 6.69 0.25 1.04 3.84 -1.26 -4.95 114.94 114.44 1xa8 s ASN 114 Ca -0.03 0.56 0.16 0.00 0.21 0.00 0.00 52.86 53.77 1xa8 s ASN 114 Cb 0.08 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 39.15 1xa8 s ASN 114 CO 0.82 -1.11 1.49 -1.14 -2.79 0.00 0.00 177.10 174.37 1xa8 n ARG 115 N 7.44 0.11 -0.01 0.43 0.00 -1.26 -1.93 116.66 121.43 1xa8 n ARG 115 Ca 0.11 0.60 0.09 0.00 -0.00 0.00 0.00 57.85 58.64 1xa8 n ARG 115 Cb 0.48 -1.88 0.08 0.00 0.00 0.00 0.00 32.46 31.15 1xa8 n ARG 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1xa8 n ASP 116 N -2.08 2.51 -4.75 6.15 8.00 -1.26 -4.96 116.55 120.16 1xa8 n ASP 116 Ca -0.01 -1.74 -0.40 0.00 0.71 0.00 0.00 54.79 53.35 1xa8 n ASP 116 Cb 0.05 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.44 3.92 0.51 1.24 2.46 -0.81 -4.95 115.29 116.22 1xa8 s HIS 117 Ca 0.21 1.88 0.30 0.00 0.47 0.00 0.00 55.06 57.92 1xa8 s HIS 117 Cb 0.15 -3.02 1.41 0.00 -0.13 0.00 0.00 32.58 30.99 1xa8 s HIS 117 CO 0.22 0.32 1.83 -1.35 -2.47 0.00 0.00 174.74 173.29 1xa8 h PRO 118 N 4.30 0.10 -0.54 2.88 0.11 -1.94 -2.48 132.00 134.44 1xa8 h PRO 118 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xa8 h PRO 118 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xa8 h PRO 118 CO 0.68 0.07 0.00 1.19 -0.21 0.00 0.00 178.00 179.73 1xa8 n PHE 119 N -4.32 0.81 -1.73 0.65 3.72 -1.26 -4.99 117.46 110.34 1xa8 n PHE 119 Ca 0.22 -0.53 -0.42 0.00 -0.05 0.00 0.00 57.45 56.68 1xa8 n PHE 119 Cb 1.03 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 39.50 1xa8 n PHE 119 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1xa8 n TYR 120 N 1.02 2.79 -0.22 1.38 9.36 -0.94 -2.21 117.16 128.33 1xa8 n TYR 120 Ca 0.19 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.63 1xa8 n TYR 120 Cb 0.58 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1xa8 n TYR 120 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xa8 n GLY 121 N 2.57 0.77 2.79 2.98 0.00 -1.26 -5.04 105.19 108.00 1xa8 n GLY 121 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 0.71 0.14 0.99 1.02 -0.94 -2.00 118.68 118.60 1xa8 s LEU 122 Ca 0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 54.13 54.00 1xa8 s LEU 122 Cb 0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.65 1xa8 s LEU 122 CO 0.00 -0.18 0.31 -1.81 0.02 0.00 0.00 176.35 174.69 1xa8 s ASP 123 N 1.92 6.38 -0.27 2.29 1.01 -0.01 -4.42 116.67 123.57 1xa8 s ASP 123 Ca 0.05 0.34 -0.11 0.00 0.71 0.00 0.00 52.55 53.53 1xa8 s ASP 123 Cb -0.12 -1.98 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 1xa8 s ASP 123 CO -0.06 0.05 0.19 -0.36 0.21 0.00 0.00 175.17 175.20 1xa8 s PHE 124 N -1.71 3.24 0.01 4.23 0.40 -0.53 -0.95 117.98 122.67 1xa8 s PHE 124 Ca 0.37 0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.90 1xa8 s PHE 124 Cb -0.12 -2.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 1xa8 s PHE 124 CO 0.28 -0.11 -0.17 0.14 0.70 0.00 0.00 175.22 176.06 1xa8 s VAL 125 N 1.62 1.32 -0.47 -0.44 -7.23 -0.49 -0.55 120.40 114.17 1xa8 s VAL 125 Ca 0.07 -0.86 -0.17 0.00 -1.81 0.00 0.00 61.98 59.22 1xa8 s VAL 125 Cb -0.15 -1.13 0.06 0.00 0.56 0.00 0.00 36.38 35.71 1xa8 s VAL 125 CO 0.10 0.26 0.48 -1.00 -0.31 0.00 0.00 175.10 174.62 1xa8 s HIS 126 N -0.56 3.16 -0.88 2.82 3.76 -1.26 -1.21 115.29 121.12 1xa8 s HIS 126 Ca 0.06 -0.68 0.26 0.00 -0.15 0.00 0.00 55.06 54.55 1xa8 s HIS 126 Cb -0.07 -3.22 0.78 0.00 1.11 0.00 0.00 32.58 31.17 1xa8 s HIS 126 CO 0.00 -0.85 1.63 0.25 -0.85 0.00 0.00 174.74 174.92 1xa8 n THR 127 N 5.39 0.17 0.00 1.30 -2.24 -1.26 -2.32 114.28 115.31 1xa8 n THR 127 Ca -0.09 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1xa8 n THR 127 Cb 0.45 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1xa8 n THR 127 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xa8 n GLU 128 N -1.75 0.00 -0.20 -0.78 0.28 -1.26 -2.13 120.64 114.80 1xa8 n GLU 128 Ca 0.06 0.34 0.06 0.00 -0.16 0.00 0.00 57.16 57.45 1xa8 n GLU 128 Cb 0.37 -1.51 0.16 0.00 1.43 0.00 0.00 31.44 31.90 1xa8 n GLU 128 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1xa8 n LEU 129 N -1.33 2.03 -4.27 -1.84 4.77 -0.98 -4.80 117.00 110.58 1xa8 n LEU 129 Ca 0.00 -1.02 -0.30 0.00 -0.03 0.00 0.00 56.01 54.66 1xa8 n LEU 129 Cb 0.01 -0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 40.67 1xa8 n LEU 129 CO 0.00 0.49 -0.56 -0.55 -1.33 0.00 0.00 177.39 175.44 1xa8 s SER 130 N -0.97 2.86 0.24 -1.43 0.15 -0.90 -1.53 113.70 112.12 1xa8 s SER 130 Ca 0.25 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.47 1xa8 s SER 130 Cb 0.13 -0.46 0.29 0.00 -1.71 0.00 0.00 66.02 64.26 1xa8 s SER 130 CO 0.16 0.28 1.60 0.44 1.20 0.00 0.00 173.24 176.92 1xa8 h ASP 131 N 5.70 0.39 -3.86 5.45 3.32 -1.87 -3.46 116.42 122.09 1xa8 h ASP 131 Ca -0.39 -0.19 -0.51 0.00 0.02 0.00 0.00 57.03 55.96 1xa8 h ASP 131 Cb 1.14 -0.11 0.04 0.00 0.22 0.00 0.00 39.33 40.61 1xa8 h ASP 131 CO 0.47 0.82 0.52 -1.61 -1.72 0.00 0.00 179.24 177.72 1xa8 s GLU 132 N -4.03 4.43 0.43 3.56 8.01 -1.26 -5.09 118.70 124.76 1xa8 s GLU 132 Ca -0.05 1.89 0.00 0.00 0.01 0.00 0.00 54.97 56.82 1xa8 s GLU 132 Cb 0.12 -3.03 -0.01 0.00 -4.31 0.00 0.00 34.13 26.91 1xa8 s GLU 132 CO 0.80 -0.00 0.65 -0.51 0.01 0.00 0.00 175.26 176.21 1xa8 s ASP 133 N -0.87 5.90 0.00 -0.19 1.01 -1.26 -4.76 116.67 116.50 1xa8 s ASP 133 Ca 0.49 0.30 0.00 0.00 0.71 0.00 0.00 52.55 54.05 1xa8 s ASP 133 Cb -0.33 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.01 1xa8 s ASP 133 CO 0.43 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1xa8 n GLY 134 N -2.03 0.90 3.72 0.21 0.00 -1.26 -4.89 105.19 101.83 1xa8 n GLY 134 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.02 -0.20 1.61 0.52 -1.26 -1.82 118.94 117.81 1xa8 s TRP 135 Ca 0.00 1.65 -0.41 0.00 0.02 0.00 0.00 56.10 57.36 1xa8 s TRP 135 Cb 0.00 -3.36 -0.17 0.00 -1.15 0.00 0.00 33.47 28.78 1xa8 s TRP 135 CO 0.00 -2.51 1.54 0.43 0.02 0.00 0.00 176.95 176.43 1xa8 n SER 136 N -3.25 1.69 -4.76 2.95 7.64 -1.26 -3.69 113.62 112.94 1xa8 n SER 136 Ca 0.12 1.12 -0.39 0.00 1.01 0.00 0.00 58.87 60.73 1xa8 n SER 136 Cb 0.51 -1.08 0.02 0.00 -1.01 0.00 0.00 64.21 62.65 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 2.26 3.06 0.58 -0.43 0.00 -1.26 -4.69 121.76 121.28 1xa8 s ALA 137 Ca 0.95 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 54.04 1xa8 s ALA 137 Cb -1.15 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 18.37 1xa8 s ALA 137 CO 0.63 -1.13 0.86 -0.35 0.00 0.00 0.00 175.76 175.77 1xa8 n PRO 138 N -0.47 0.83 0.00 0.00 -0.04 -1.26 -4.24 135.00 129.82 1xa8 n PRO 138 Ca 0.07 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1xa8 n PRO 138 Cb 0.44 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1xa8 n PRO 138 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xa8 n GLU 139 N -0.70 2.28 -2.61 0.54 1.02 0.39 -4.89 120.64 116.68 1xa8 n GLU 139 Ca 0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1xa8 n GLU 139 Cb 0.47 -0.72 0.02 0.00 -0.02 0.00 0.00 31.44 31.18 1xa8 n GLU 139 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1xa8 n PHE 140 N -1.01 -1.61 -4.22 -0.32 1.16 -1.26 -4.43 117.46 105.78 1xa8 n PHE 140 Ca 0.00 -0.97 -0.34 0.00 -1.87 0.00 0.00 57.45 54.27 1xa8 n PHE 140 Cb 0.15 0.48 -0.14 0.00 -1.61 0.00 0.00 39.48 38.36 1xa8 n PHE 140 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xa8 s ALA 141 N -1.60 2.69 -0.02 1.98 0.00 -0.62 -1.95 121.76 122.25 1xa8 s ALA 141 Ca 0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1xa8 s ALA 141 Cb -0.03 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1xa8 s ALA 141 CO 0.06 -0.19 0.09 0.00 0.00 0.00 0.00 175.76 175.71 1xa8 s ALA 142 N 1.08 3.62 -1.31 0.00 0.00 0.92 -0.88 121.76 125.17 1xa8 s ALA 142 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1xa8 s ALA 142 Cb -0.15 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.36 1xa8 s ALA 142 CO -0.02 0.68 0.99 1.19 0.00 0.00 0.00 175.76 178.61 1xa8 n PHE 143 N 1.29 -2.35 -0.07 0.00 3.72 -0.26 -0.47 117.46 119.32 1xa8 n PHE 143 Ca -0.14 0.94 -0.07 0.00 -0.05 0.00 0.00 57.45 58.13 1xa8 n PHE 143 Cb 0.53 -4.79 -0.01 0.00 -0.94 0.00 0.00 39.48 34.27 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 -2.15 0.71 0.00 -4.37 2.07 -1.41 -2.73 116.25 108.37 1xa8 h VAL 144 Ca -0.59 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1xa8 h VAL 144 Cb 1.36 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1xa8 h VAL 144 CO 0.55 0.00 0.00 0.77 0.02 0.00 0.00 177.57 178.91 1xa8 h SER 145 N -0.00 0.00 0.30 0.57 4.64 -1.87 -2.93 113.55 114.25 1xa8 h SER 145 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1xa8 h SER 145 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1xa8 h SER 145 CO -0.29 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.47 1xa8 n SER 146 N -3.03 0.00 -0.01 4.97 7.64 -1.03 -2.63 113.62 119.53 1xa8 n SER 146 Ca -0.00 -0.11 -0.07 0.00 1.01 0.00 0.00 58.87 59.70 1xa8 n SER 146 Cb 0.24 -0.23 0.11 0.00 -1.01 0.00 0.00 64.21 63.32 1xa8 n SER 146 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1xa8 h ILE 147 N 0.00 1.29 -0.95 0.44 3.07 -1.57 -2.39 117.51 117.41 1xa8 h ILE 147 Ca 0.00 -1.53 0.28 0.00 1.55 0.00 0.00 64.86 65.16 1xa8 h ILE 147 Cb 0.15 1.51 -0.15 0.00 -0.27 0.00 0.00 36.82 38.06 1xa8 h ILE 147 CO 0.00 0.49 0.38 0.40 -1.05 0.00 0.00 178.15 178.37 1xa8 h ILE 148 N 0.49 0.27 0.00 0.16 2.04 -1.67 -0.43 117.51 118.37 1xa8 h ILE 148 Ca 0.05 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xa8 h ILE 148 Cb 0.88 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1xa8 h ILE 148 CO 0.08 0.04 0.00 -0.62 0.00 0.00 0.00 178.15 177.65 1xa8 n GLU 149 N -5.17 0.01 -0.32 2.37 1.02 -0.90 -2.51 120.64 115.14 1xa8 n GLU 149 Ca 0.27 0.33 0.09 0.00 -0.02 0.00 0.00 57.16 57.83 1xa8 n GLU 149 Cb 0.85 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.99 1xa8 n GLU 149 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xa8 n SER 150 N -1.49 3.35 0.00 1.62 3.41 -0.18 -4.97 113.62 115.36 1xa8 n SER 150 Ca 0.02 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.59 1xa8 n SER 150 Cb 0.11 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1xa8 n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xa8 n GLY 151 N -0.84 0.90 3.71 5.00 0.00 -1.05 -5.09 105.19 107.83 1xa8 n GLY 151 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 4.89 -0.03 1.61 1.01 -1.15 -4.98 120.40 119.75 1xa8 s VAL 152 Ca 0.00 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1xa8 s VAL 152 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1xa8 s VAL 152 CO 0.00 0.16 1.29 -0.62 0.00 0.00 0.00 175.10 175.92 1xa8 s ASP 153 N 0.99 6.97 0.41 3.32 2.15 -1.26 -4.21 116.67 125.04 1xa8 s ASP 153 Ca 0.49 1.94 0.27 0.00 0.43 0.00 0.00 52.55 55.68 1xa8 s ASP 153 Cb -0.20 -2.56 1.40 0.00 -0.30 0.00 0.00 42.92 41.27 1xa8 s ASP 153 CO 0.25 -0.64 1.60 -0.65 -0.17 0.00 0.00 175.17 175.55 1xa8 h PRO 154 N 7.63 0.05 0.00 4.34 0.11 -1.95 0.18 132.00 142.37 1xa8 h PRO 154 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1xa8 h PRO 154 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xa8 h PRO 154 CO 0.89 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 179.38 1xa8 h SER 155 N 0.06 0.00 0.12 -2.05 4.64 -2.04 -2.93 113.55 111.35 1xa8 h SER 155 Ca 0.84 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.16 1xa8 h SER 155 Cb 2.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.60 1xa8 h SER 155 CO -0.54 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 175.94 1xa8 n ARG 156 N -2.88 1.03 0.09 4.77 1.74 0.65 -4.40 116.66 117.65 1xa8 n ARG 156 Ca 0.01 -0.26 -0.22 0.00 -0.77 0.00 0.00 57.85 56.61 1xa8 n ARG 156 Cb 0.29 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 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 0.64 0.54 -1.08 5.56 2.86 -1.67 -2.63 114.93 119.16 1xa8 h MET 157 Ca 0.00 -0.77 0.29 0.00 -2.06 0.00 0.00 59.70 57.16 1xa8 h MET 157 Cb 0.21 0.26 -0.10 0.00 0.06 0.00 0.00 31.60 32.03 1xa8 h MET 157 CO 0.00 1.35 0.69 1.49 1.06 0.00 0.00 176.91 181.50 1xa8 h GLU 158 N 0.12 0.35 0.18 1.72 4.81 -1.82 -0.15 114.58 119.79 1xa8 h GLU 158 Ca -0.18 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.78 1xa8 h GLU 158 Cb 1.87 -0.08 0.03 0.00 0.63 0.00 0.00 28.75 31.19 1xa8 h GLU 158 CO 0.22 0.23 -1.11 0.00 -0.73 0.00 0.00 179.01 177.62 1xa8 h ALA 159 N 1.63 -0.09 -0.34 2.92 0.00 -1.84 -2.83 119.26 118.71 1xa8 h ALA 159 Ca 0.63 -0.80 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1xa8 h ALA 159 Cb 1.65 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1xa8 h ALA 159 CO -0.33 0.54 -0.30 -0.84 0.00 0.00 0.00 179.25 178.31 1xa8 h ILE 160 N -0.18 1.29 -0.92 0.00 -0.00 -0.96 -0.47 117.51 116.27 1xa8 h ILE 160 Ca -0.20 -1.46 0.01 0.00 -0.00 0.00 0.00 64.86 63.20 1xa8 h ILE 160 Cb 1.84 1.46 -0.05 0.00 -0.00 0.00 0.00 36.82 40.07 1xa8 h ILE 160 CO 0.19 0.48 0.60 0.03 -0.00 0.00 0.00 178.15 179.44 1xa8 h ARG 161 N 0.59 1.21 -0.54 0.16 3.08 -1.20 -1.08 114.38 116.61 1xa8 h ARG 161 Ca 0.06 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1xa8 h ARG 161 Cb 0.88 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1xa8 h ARG 161 CO 0.08 0.81 -0.03 0.00 -1.07 0.00 0.00 179.97 179.76 1xa8 h ALA 162 N 1.41 0.94 -0.21 0.04 0.00 -1.39 -1.89 119.26 118.17 1xa8 h ALA 162 Ca 0.33 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xa8 h ALA 162 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xa8 h ALA 162 CO -0.07 0.63 -0.11 -0.09 0.00 0.00 0.00 179.25 179.61 1xa8 h ARG 163 N 0.86 0.45 -0.35 0.00 9.65 -0.65 -1.57 114.38 122.78 1xa8 h ARG 163 Ca 0.15 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1xa8 h ARG 163 Cb 0.54 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 1xa8 h ARG 163 CO 0.03 0.74 0.23 -0.07 2.80 0.00 0.00 179.97 183.69 1xa8 h LEU 164 N 0.15 0.40 -0.78 3.80 3.38 -1.20 -0.90 115.31 120.16 1xa8 h LEU 164 Ca 0.05 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.12 1xa8 h LEU 164 Cb 0.60 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1xa8 h LEU 164 CO 0.03 0.30 0.39 0.03 0.09 0.00 0.00 178.44 179.28 1xa8 h ARG 165 N 0.47 0.59 0.00 1.13 3.08 -1.33 0.16 114.38 118.48 1xa8 h ARG 165 Ca 0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1xa8 h ARG 165 Cb -0.04 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1xa8 h ARG 165 CO -0.03 0.39 0.00 1.05 -1.07 0.00 0.00 179.97 180.31 1xa8 h GLU 166 N 0.61 0.00 -0.00 0.04 4.11 -1.01 -0.46 114.58 117.86 1xa8 h GLU 166 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1xa8 h GLU 166 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xa8 h GLU 166 CO -0.32 0.00 -0.03 1.28 0.07 0.00 0.00 179.01 180.01 1xa8 n LEU 167 N -2.94 0.05 -0.10 3.06 4.77 -0.27 -4.91 117.00 116.65 1xa8 n LEU 167 Ca 0.02 0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 56.36 1xa8 n LEU 167 Cb 0.34 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1xa8 n LEU 167 CO 0.27 0.01 -0.01 0.61 -1.33 0.00 0.00 177.39 176.94 1xa8 n GLY 168 N 1.42 0.36 2.92 -0.72 0.00 -0.18 -4.83 105.19 104.16 1xa8 n GLY 168 Ca 0.10 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.27 4.08 -0.14 0.99 1.43 0.42 -4.77 118.68 120.42 1xa8 s LEU 169 Ca 0.00 -2.58 -0.29 0.00 -1.03 0.00 0.00 54.13 50.23 1xa8 s LEU 169 Cb 0.00 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1xa8 s LEU 169 CO 0.00 -0.30 1.28 -0.70 0.23 0.00 0.00 176.35 176.86 1xa8 s GLU 170 N 0.33 4.25 0.07 1.70 2.56 -1.26 -3.43 118.70 122.92 1xa8 s GLU 170 Ca 0.15 1.70 -0.31 0.00 0.00 0.00 0.00 54.97 56.51 1xa8 s GLU 170 Cb -0.23 -3.74 -0.08 0.00 2.00 0.00 0.00 34.13 32.08 1xa8 s GLU 170 CO -0.04 -0.67 1.61 -1.25 -0.56 0.00 0.00 175.26 174.34 1xa8 s PRO 171 N 3.31 4.21 0.02 4.30 0.04 -1.26 -1.58 135.00 144.04 1xa8 s PRO 171 Ca 0.56 2.28 0.03 0.00 0.04 0.00 0.00 61.00 63.91 1xa8 s PRO 171 Cb -0.23 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 1xa8 s PRO 171 CO 0.17 -0.70 -0.10 0.71 0.04 0.00 0.00 177.00 177.12 1xa8 s TYR 172 N 2.48 0.89 -2.21 0.56 2.02 -0.06 -4.96 117.35 116.07 1xa8 s TYR 172 Ca 0.72 -0.28 0.23 0.00 -0.37 0.00 0.00 57.07 57.37 1xa8 s TYR 172 Cb -0.39 -0.55 1.08 0.00 -0.40 0.00 0.00 41.96 41.71 1xa8 s TYR 172 CO 0.31 -0.01 1.73 -0.25 -1.57 0.00 0.00 175.55 175.77 1xa8 n ASP 173 N 2.26 0.94 0.00 2.29 8.00 -1.26 -1.10 116.55 127.68 1xa8 n ASP 173 Ca -0.17 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1xa8 n ASP 173 Cb 0.56 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 -0.20 0.00 -1.80 2.24 0.00 -1.26 -4.32 120.51 115.17 1xa8 n ALA 174 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1xa8 n ALA 174 Cb 0.23 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.86 1xa8 n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xa8 s LEU 175 N 0.00 2.39 0.76 0.00 1.43 -1.26 -2.15 118.68 119.85 1xa8 s LEU 175 Ca 0.00 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1xa8 s LEU 175 Cb 0.00 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.76 1xa8 s LEU 175 CO 0.00 -2.78 1.09 -0.94 0.23 0.00 0.00 176.35 173.96 1xa8 s SER 176 N -4.67 4.60 0.18 2.29 1.04 -1.26 -4.71 113.70 111.17 1xa8 s SER 176 Ca 0.71 1.84 -0.21 0.00 0.48 0.00 0.00 55.95 58.78 1xa8 s SER 176 Cb -0.06 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.64 1xa8 s SER 176 CO 0.53 -1.97 1.59 -0.65 0.98 0.00 0.00 173.24 173.72 1xa8 h PRO 177 N -0.96 -0.18 -0.86 4.02 0.11 -1.98 0.29 132.00 132.44 1xa8 h PRO 177 Ca -0.44 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.83 1xa8 h PRO 177 Cb 1.23 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 1xa8 h PRO 177 CO 0.52 -0.12 0.56 -1.35 -0.21 0.00 0.00 178.00 177.40 1xa8 h PRO 178 N -0.19 0.60 0.01 1.05 0.11 -1.99 -0.67 132.00 130.93 1xa8 h PRO 178 Ca 0.21 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.11 1xa8 h PRO 178 Cb 0.54 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1xa8 h PRO 178 CO -0.63 0.40 -0.70 -0.07 -0.21 0.00 0.00 178.00 176.79 1xa8 h LEU 179 N 0.62 0.60 -0.66 2.35 3.38 -1.82 -2.19 115.31 117.59 1xa8 h LEU 179 Ca 0.43 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1xa8 h LEU 179 Cb 0.76 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xa8 h LEU 179 CO -0.19 1.29 0.39 0.24 0.09 0.00 0.00 178.44 180.26 1xa8 h MET 180 N -0.03 0.90 -0.73 1.13 2.86 -0.12 -1.61 114.93 117.32 1xa8 h MET 180 Ca -0.09 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1xa8 h MET 180 Cb 1.41 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 1xa8 h MET 180 CO 0.14 0.65 0.49 -0.44 1.06 0.00 0.00 176.91 178.80 1xa8 h ASP 181 N 0.90 0.84 -0.23 1.22 5.19 -1.21 -1.70 116.42 121.43 1xa8 h ASP 181 Ca 0.24 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1xa8 h ASP 181 Cb -0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 1xa8 h ASP 181 CO -0.04 0.61 0.14 0.00 -3.12 0.00 0.00 179.24 176.82 1xa8 h ALA 182 N 1.27 0.29 0.03 3.45 0.00 -1.32 -0.88 119.26 122.11 1xa8 h ALA 182 Ca 0.27 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1xa8 h ALA 182 Cb -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1xa8 h ALA 182 CO -0.06 -0.21 -0.46 0.82 0.00 0.00 0.00 179.25 179.34 1xa8 h ILE 183 N 0.29 0.10 -0.78 0.00 2.04 -1.20 -2.24 117.51 115.72 1xa8 h ILE 183 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1xa8 h ILE 183 Cb 0.00 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 1xa8 h ILE 183 CO -0.02 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.65 1xa8 h ALA 184 N -0.18 1.91 -0.53 1.87 0.00 -1.26 -1.26 119.26 119.80 1xa8 h ALA 184 Ca 0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xa8 h ALA 184 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xa8 h ALA 184 CO -0.32 -0.09 -0.07 1.15 0.00 0.00 0.00 179.25 179.92 1xa8 h THR 185 N 0.60 1.26 0.14 0.00 2.02 -0.93 0.29 112.91 116.29 1xa8 h THR 185 Ca 0.38 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1xa8 h THR 185 Cb 0.63 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1xa8 h THR 185 CO -0.14 0.43 -0.07 -0.74 0.37 0.00 0.00 175.52 175.37 1xa8 h HIS 186 N 0.87 -0.17 -0.64 3.16 6.17 -0.80 -0.71 115.15 123.04 1xa8 h HIS 186 Ca 0.15 -0.00 0.11 0.00 0.71 0.00 0.00 60.37 61.33 1xa8 h HIS 186 Cb 0.61 0.06 -0.12 0.00 2.52 0.00 0.00 27.41 30.48 1xa8 h HIS 186 CO 0.04 0.29 -0.34 0.82 0.71 0.00 0.00 177.93 179.45 1xa8 h ILE 187 N -0.75 0.15 -0.33 6.26 2.04 -1.27 -1.34 117.51 122.27 1xa8 h ILE 187 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1xa8 h ILE 187 Cb 0.53 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1xa8 h ILE 187 CO 0.03 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.40 1xa8 h ALA 188 N 1.06 1.97 0.25 1.87 0.00 -0.77 -2.55 119.26 121.09 1xa8 h ALA 188 Ca 0.25 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.81 1xa8 h ALA 188 Cb 0.56 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xa8 h ALA 188 CO -0.72 -0.02 -1.48 0.87 0.00 0.00 0.00 179.25 177.90 1xa8 h LYS 189 N 0.27 0.55 0.00 0.00 1.57 -0.64 -0.35 116.57 117.96 1xa8 h LYS 189 Ca 0.14 -0.93 -0.01 0.00 -1.87 0.00 0.00 60.65 57.97 1xa8 h LYS 189 Cb 0.22 0.35 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1xa8 h LYS 189 CO -0.03 1.45 -0.06 0.00 -0.57 0.00 0.00 179.45 180.24 1xa8 h ARG 190 N 0.15 0.00 0.00 3.15 3.08 -1.04 -3.20 114.38 116.52 1xa8 h ARG 190 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xa8 h ARG 190 Cb 2.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.22 1xa8 h ARG 190 CO 0.28 0.06 -1.49 -1.13 -1.07 0.00 0.00 179.97 176.61 1xa8 n SER 191 N -4.20 0.58 0.00 7.04 3.41 -0.98 -4.98 113.62 114.49 1xa8 n SER 191 Ca -0.03 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1xa8 n SER 191 Cb 0.14 1.52 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 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 1.39 0.69 0.22 5.00 0.00 -1.01 -4.96 105.19 106.52 1xa8 n GLY 192 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1xa8 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 h ALA 193 N 0.00 1.57 -4.20 4.61 0.00 -1.41 -3.41 119.26 116.42 1xa8 h ALA 193 Ca 0.00 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 1xa8 h ALA 193 Cb 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 17.48 1xa8 h ALA 193 CO 0.00 0.27 -0.84 -0.51 0.00 0.00 0.00 179.25 178.17 1xa8 s LEU 194 N -8.34 2.11 0.72 0.00 1.43 -0.52 -5.01 118.68 109.07 1xa8 s LEU 194 Ca -0.04 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 1xa8 s LEU 194 Cb 0.15 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.32 1xa8 s LEU 194 CO 0.69 0.19 0.13 0.00 0.23 0.00 0.00 176.35 177.59 1xa8 n ALA 195 N 2.20 -2.61 -0.75 4.21 0.00 -1.26 -4.24 120.51 118.06 1xa8 n ALA 195 Ca -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1xa8 n ALA 195 Cb 0.53 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1xa8 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50