#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b78 s ILE 11 N 0.00 1.82 0.26 3.15 1.01 -0.36 -4.61 121.20 122.47 1b78 s ILE 11 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1b78 s ILE 11 Cb 0.00 -1.62 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 1b78 s ILE 11 CO 0.00 0.51 0.59 -0.31 0.00 0.00 0.00 174.94 175.72 1b78 s TYR 12 N 0.77 3.43 -0.25 3.97 2.02 -0.71 -0.54 117.35 126.03 1b78 s TYR 12 Ca -0.10 0.89 0.03 0.00 -0.37 0.00 0.00 57.07 57.53 1b78 s TYR 12 Cb -0.16 -2.28 0.06 0.00 -0.40 0.00 0.00 41.96 39.17 1b78 s TYR 12 CO 0.01 0.21 -0.12 0.12 -1.57 0.00 0.00 175.55 174.19 1b78 s PHE 13 N -1.92 3.22 -0.49 2.71 2.19 0.84 -0.13 117.98 124.42 1b78 s PHE 13 Ca 0.48 -2.26 -0.28 0.00 0.33 0.00 0.00 56.93 55.20 1b78 s PHE 13 Cb -0.11 -1.93 0.03 0.00 -1.31 0.00 0.00 43.02 39.70 1b78 s PHE 13 CO 0.23 -0.87 1.09 0.00 1.83 0.00 0.00 175.22 177.50 1b78 s ALA 14 N 1.12 3.15 -0.05 11.12 0.00 -0.73 -1.33 121.76 135.05 1b78 s ALA 14 Ca -0.08 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 1b78 s ALA 14 Cb -0.19 -3.85 0.11 0.00 0.00 0.00 0.00 23.12 19.18 1b78 s ALA 14 CO -0.06 -2.26 1.04 -0.08 0.00 0.00 0.00 175.76 174.40 1b78 s THR 15 N 4.35 0.00 -2.69 0.00 -1.32 -1.20 -4.75 115.64 110.03 1b78 s THR 15 Ca 0.45 -0.10 0.22 0.00 -1.21 0.00 0.00 61.69 61.05 1b78 s THR 15 Cb -0.08 -1.21 0.19 0.00 -1.51 0.00 0.00 72.50 69.89 1b78 s THR 15 CO 0.30 0.00 1.21 0.61 -2.21 0.00 0.00 174.62 174.53 1b78 n GLY 16 N -0.24 0.86 3.34 6.08 0.00 -1.26 -4.60 105.19 109.36 1b78 n GLY 16 Ca -0.05 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1b78 n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1b78 s ASN 17 N -1.78 5.94 0.44 1.61 3.84 -1.26 -4.95 114.94 118.77 1b78 s ASN 17 Ca 0.26 -1.41 0.14 0.00 0.21 0.00 0.00 52.86 52.06 1b78 s ASN 17 Cb 0.18 -2.10 1.04 0.00 -0.55 0.00 0.00 41.25 39.82 1b78 s ASN 17 CO 0.28 -0.61 2.00 -0.65 -2.79 0.00 0.00 177.10 175.33 1b78 h PRO 18 N 8.61 0.37 -0.11 0.43 0.11 -2.01 -2.12 132.00 137.29 1b78 h PRO 18 Ca -0.26 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.86 1b78 h PRO 18 Cb 1.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1b78 h PRO 18 CO 0.83 0.25 0.11 -0.91 -0.21 0.00 0.00 178.00 178.07 1b78 h ASN 19 N 0.39 0.00 -0.24 -2.05 -0.26 -2.00 -1.00 115.58 110.42 1b78 h ASN 19 Ca 0.24 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.86 1b78 h ASN 19 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1b78 h ASN 19 CO -0.06 0.00 -0.25 0.11 -1.06 0.00 0.00 177.43 176.17 1b78 h LYS 20 N 0.00 0.72 -0.15 0.81 1.57 -1.81 -1.92 116.57 115.79 1b78 h LYS 20 Ca 0.05 -0.30 -0.19 0.00 -1.87 0.00 0.00 60.65 58.34 1b78 h LYS 20 Cb 0.27 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1b78 h LYS 20 CO -0.00 0.90 -0.68 0.82 -0.57 0.00 0.00 179.45 179.92 1b78 h ILE 21 N 0.62 1.32 -0.21 1.86 5.03 -1.32 -2.25 117.51 122.57 1b78 h ILE 21 Ca 0.08 -1.96 -0.01 0.00 -0.12 0.00 0.00 64.86 62.86 1b78 h ILE 21 Cb 0.75 1.93 -0.01 0.00 -3.03 0.00 0.00 36.82 36.47 1b78 h ILE 21 CO 0.06 0.61 0.09 0.11 -0.68 0.00 0.00 178.15 178.34 1b78 h LYS 22 N 0.43 0.30 -0.55 2.37 1.57 -1.33 0.10 116.57 119.47 1b78 h LYS 22 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1b78 h LYS 22 Cb 1.26 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1b78 h LYS 22 CO 0.13 0.34 0.32 1.49 -0.57 0.00 0.00 179.45 181.16 1b78 h GLU 23 N 0.20 0.75 -0.54 3.15 4.81 -1.35 -2.19 114.58 119.41 1b78 h GLU 23 Ca 0.07 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1b78 h GLU 23 Cb 0.14 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1b78 h GLU 23 CO -0.01 0.56 0.29 0.00 -0.73 0.00 0.00 179.01 179.13 1b78 h ALA 24 N 1.15 0.70 -0.58 2.92 0.00 -1.16 -2.39 119.26 119.90 1b78 h ALA 24 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1b78 h ALA 24 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1b78 h ALA 24 CO -0.03 0.22 0.25 -0.91 0.00 0.00 0.00 179.25 178.78 1b78 h ASN 25 N 0.73 0.75 0.61 0.00 -0.26 -0.65 -1.98 115.58 114.77 1b78 h ASN 25 Ca 0.19 -0.08 -0.20 0.00 -0.56 0.00 0.00 56.30 55.64 1b78 h ASN 25 Cb 0.06 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1b78 h ASN 25 CO -0.03 0.65 -0.91 0.16 -1.06 0.00 0.00 177.43 176.24 1b78 h ILE 26 N 0.82 1.51 0.00 2.81 3.07 -1.19 0.50 117.51 125.02 1b78 h ILE 26 Ca 0.20 -2.70 -0.02 0.00 1.55 0.00 0.00 64.86 63.89 1b78 h ILE 26 Cb 0.12 2.52 -0.00 0.00 -0.27 0.00 0.00 36.82 39.19 1b78 h ILE 26 CO -0.02 0.79 -0.11 0.40 -1.05 0.00 0.00 178.15 178.15 1b78 h ILE 27 N 0.10 0.28 -0.16 0.16 2.04 -1.18 -3.02 117.51 115.73 1b78 h ILE 27 Ca -0.05 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1b78 h ILE 27 Cb 1.56 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1b78 h ILE 27 CO 0.14 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.58 1b78 n LEU 28 N -3.25 2.30 0.33 1.44 4.32 -0.77 -4.60 117.00 116.77 1b78 n LEU 28 Ca 0.00 -1.52 0.21 0.00 -0.02 0.00 0.00 56.01 54.68 1b78 n LEU 28 Cb 0.37 -0.10 1.12 0.00 -1.62 0.00 0.00 43.42 43.18 1b78 n LEU 28 CO 0.30 0.53 1.16 0.07 -1.22 0.00 0.00 177.39 178.23 1b78 h LYS 29 N 1.77 0.00 -0.18 3.23 -0.00 0.13 -0.37 116.57 121.16 1b78 h LYS 29 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.68 1b78 h LYS 29 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.77 1b78 h LYS 29 CO 0.00 0.00 0.12 0.38 -0.00 0.00 0.00 179.45 179.95 1b78 h ASP 30 N 0.00 0.11 -2.28 7.07 2.03 -1.81 -3.35 116.42 118.20 1b78 h ASP 30 Ca -0.00 -0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.64 1b78 h ASP 30 Cb 0.03 -0.03 -0.15 0.00 -0.83 0.00 0.00 39.33 38.35 1b78 h ASP 30 CO 0.00 0.08 0.86 -0.76 -1.03 0.00 0.00 179.24 178.39 1b78 s LEU 31 N -9.13 4.59 0.61 0.15 1.43 -0.15 -4.88 118.68 111.30 1b78 s LEU 31 Ca -0.06 -1.62 0.34 0.00 -1.03 0.00 0.00 54.13 51.76 1b78 s LEU 31 Cb 0.18 -2.43 2.01 0.00 0.03 0.00 0.00 46.19 45.97 1b78 s LEU 31 CO 0.69 -1.26 2.29 0.11 0.23 0.00 0.00 176.35 178.42 1b78 h LYS 32 N 9.21 0.00 -0.33 1.70 1.57 -1.84 -1.45 116.57 125.44 1b78 h LYS 32 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1b78 h LYS 32 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1b78 h LYS 32 CO 1.18 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.66 1b78 n ASP 33 N -3.61 1.73 -3.93 0.86 3.85 -1.26 -4.86 116.55 109.33 1b78 n ASP 33 Ca -0.03 -2.00 -0.19 0.00 -0.71 0.00 0.00 54.79 51.86 1b78 n ASP 33 Cb 0.08 -0.22 -0.16 0.00 -1.35 0.00 0.00 41.12 39.48 1b78 n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1b78 s VAL 34 N -1.57 0.53 -0.03 2.12 1.01 -0.55 -4.67 120.40 117.24 1b78 s VAL 34 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1b78 s VAL 34 Cb 0.11 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1b78 s VAL 34 CO 0.15 0.19 -0.02 -0.70 0.00 0.00 0.00 175.10 174.72 1b78 s GLU 35 N 0.44 0.49 -0.11 2.72 2.56 -1.26 -4.88 118.70 118.65 1b78 s GLU 35 Ca -0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.97 54.80 1b78 s GLU 35 Cb -0.09 -0.58 -0.05 0.00 2.00 0.00 0.00 34.13 35.41 1b78 s GLU 35 CO 0.00 -0.09 0.22 0.42 -0.56 0.00 0.00 175.26 175.25 1b78 s ILE 36 N 0.84 5.36 -0.00 -3.70 1.09 -1.26 -1.23 121.20 122.30 1b78 s ILE 36 Ca -0.09 0.40 0.04 0.00 -1.10 0.00 0.00 60.65 59.89 1b78 s ILE 36 Cb -0.13 -3.51 -0.01 0.00 -1.06 0.00 0.00 42.46 37.75 1b78 s ILE 36 CO -0.01 0.55 -0.12 -0.70 -0.10 0.00 0.00 174.94 174.57 1b78 s GLU 37 N -0.62 0.92 0.33 2.79 2.12 0.29 -4.94 118.70 119.60 1b78 s GLU 37 Ca 0.16 -0.46 -0.28 0.00 0.36 0.00 0.00 54.97 54.76 1b78 s GLU 37 Cb -0.13 -0.89 -0.09 0.00 0.26 0.00 0.00 34.13 33.28 1b78 s GLU 37 CO 0.05 0.24 1.16 -1.14 -0.54 0.00 0.00 175.26 175.03 1b78 s GLN 38 N -0.41 4.39 -0.09 4.30 0.74 -1.26 -0.11 119.66 127.22 1b78 s GLN 38 Ca 0.04 1.87 -0.00 0.00 0.05 0.00 0.00 55.36 57.32 1b78 s GLN 38 Cb -0.05 -2.97 0.02 0.00 1.10 0.00 0.00 33.01 31.11 1b78 s GLN 38 CO -0.00 -0.04 -0.05 -1.50 -0.55 0.00 0.00 175.29 173.15 1b78 s ILE 39 N -1.27 0.73 -1.34 -2.34 1.10 -0.44 -4.77 121.20 112.87 1b78 s ILE 39 Ca 0.50 -0.13 -0.14 0.00 -0.51 0.00 0.00 60.65 60.37 1b78 s ILE 39 Cb -0.32 -0.80 -0.02 0.00 0.15 0.00 0.00 42.46 41.47 1b78 s ILE 39 CO 0.42 0.31 2.31 0.29 -2.11 0.00 0.00 174.94 176.16 1b78 n LYS 40 N 4.84 2.74 -4.06 3.50 4.01 -1.26 -3.25 118.16 124.68 1b78 n LYS 40 Ca -0.13 -2.33 -0.33 0.00 -0.51 0.00 0.00 58.31 55.01 1b78 n LYS 40 Cb 0.50 -3.08 -0.15 0.00 -0.51 0.00 0.00 35.03 31.78 1b78 n LYS 40 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1b78 s ILE 41 N 3.32 2.35 0.56 -0.18 1.01 -1.26 -5.04 121.20 121.96 1b78 s ILE 41 Ca 0.53 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 1b78 s ILE 41 Cb 0.15 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1b78 s ILE 41 CO -0.05 0.38 0.98 -0.94 0.00 0.00 0.00 174.94 175.32 1b78 s SER 42 N 1.29 6.38 0.04 3.58 1.04 -1.26 -4.49 113.70 120.27 1b78 s SER 42 Ca 0.02 1.42 -0.19 0.00 0.48 0.00 0.00 55.95 57.68 1b78 s SER 42 Cb -0.15 -2.46 0.04 0.00 0.10 0.00 0.00 66.02 63.55 1b78 s SER 42 CO -0.09 -0.73 0.43 -0.72 0.98 0.00 0.00 173.24 173.11 1b78 s TYR 43 N -2.92 -0.30 0.19 5.02 1.13 -1.26 -4.91 117.35 114.31 1b78 s TYR 43 Ca 0.56 0.28 -0.30 0.00 -1.41 0.00 0.00 57.07 56.20 1b78 s TYR 43 Cb -0.11 0.24 -0.08 0.00 -1.10 0.00 0.00 41.96 40.91 1b78 s TYR 43 CO 0.44 -0.58 1.24 -2.14 -2.51 0.00 0.00 175.55 172.01 1b78 s PRO 44 N -2.41 4.45 -0.36 -3.49 0.02 -1.26 -4.98 135.00 126.97 1b78 s PRO 44 Ca -0.06 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 62.80 1b78 s PRO 44 Cb -0.01 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.31 1b78 s PRO 44 CO -0.02 -0.15 0.20 -1.21 -0.33 0.00 0.00 177.00 175.48 1b78 s GLU 45 N -0.19 2.97 0.70 5.54 2.02 -1.26 -4.41 118.70 124.07 1b78 s GLU 45 Ca 0.54 -0.98 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 1b78 s GLU 45 Cb -0.34 -3.70 0.08 0.00 0.10 0.00 0.00 34.13 30.27 1b78 s GLU 45 CO 0.37 -0.63 1.00 0.96 0.02 0.00 0.00 175.26 176.98 1b78 s ILE 46 N 1.57 2.30 -0.11 -1.63 -4.36 -1.26 -5.04 121.20 112.66 1b78 s ILE 46 Ca 0.03 -0.36 -0.24 0.00 -0.26 0.00 0.00 60.65 59.82 1b78 s ILE 46 Cb -0.19 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 1b78 s ILE 46 CO 0.07 0.00 0.73 -1.10 0.24 0.00 0.00 174.94 174.87 1b78 s GLN 47 N -5.21 4.37 0.00 0.37 -0.21 -1.26 -4.74 119.66 112.98 1b78 s GLN 47 Ca 0.62 0.88 0.00 0.00 0.02 0.00 0.00 55.36 56.88 1b78 s GLN 47 Cb -0.09 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.42 1b78 s GLN 47 CO 0.44 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 1b78 n GLY 48 N 3.29 -0.41 3.84 3.09 0.00 -1.26 -4.97 105.19 108.77 1b78 n GLY 48 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1b78 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b78 s THR 49 N -3.00 2.34 0.34 2.61 -4.23 -1.26 -4.75 115.64 107.69 1b78 s THR 49 Ca 0.00 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1b78 s THR 49 Cb 0.00 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.13 1b78 s THR 49 CO 0.00 -0.14 2.00 -0.07 -0.54 0.00 0.00 174.62 175.87 1b78 h LEU 50 N -1.18 0.75 -0.63 4.79 3.38 -1.97 -2.04 115.31 118.41 1b78 h LEU 50 Ca -0.48 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1b78 h LEU 50 Cb 1.31 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1b78 h LEU 50 CO 0.63 0.54 0.41 -0.33 0.09 0.00 0.00 178.44 179.78 1b78 h GLU 51 N 0.88 0.83 -0.49 1.13 3.07 -1.93 -1.25 114.58 116.81 1b78 h GLU 51 Ca 0.25 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.94 1b78 h GLU 51 Cb -0.06 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.65 1b78 h GLU 51 CO -0.06 0.55 -0.16 0.93 -1.40 0.00 0.00 179.01 178.86 1b78 h GLU 52 N 0.85 0.97 -0.49 2.33 5.08 -1.82 -0.66 114.58 120.84 1b78 h GLU 52 Ca 0.23 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1b78 h GLU 52 Cb -0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1b78 h GLU 52 CO -0.05 1.05 0.14 0.28 -1.00 0.00 0.00 179.01 179.44 1b78 h VAL 53 N 0.85 1.23 -0.22 3.13 2.07 -1.17 -0.95 116.25 121.19 1b78 h VAL 53 Ca 0.12 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 1b78 h VAL 53 Cb 0.72 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1b78 h VAL 53 CO 0.06 0.28 -0.35 0.00 0.02 0.00 0.00 177.57 177.58 1b78 h ALA 54 N 1.00 0.34 -0.31 1.67 0.00 -1.13 -0.06 119.26 120.78 1b78 h ALA 54 Ca 0.16 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1b78 h ALA 54 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b78 h ALA 54 CO -0.00 0.40 -0.03 1.49 0.00 0.00 0.00 179.25 181.11 1b78 h GLU 55 N 0.32 0.56 -0.48 0.00 4.81 -1.10 0.13 114.58 118.81 1b78 h GLU 55 Ca 0.02 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1b78 h GLU 55 Cb 0.94 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1b78 h GLU 55 CO 0.08 0.72 0.28 0.35 -0.73 0.00 0.00 179.01 179.71 1b78 h PHE 56 N 0.35 0.65 -0.38 0.92 3.04 -1.18 -1.77 116.94 118.57 1b78 h PHE 56 Ca 0.08 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 1b78 h PHE 56 Cb 0.48 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1b78 h PHE 56 CO 0.04 0.47 0.11 0.78 -2.02 0.00 0.00 178.31 177.70 1b78 h GLY 57 N 0.64 0.63 1.00 2.40 0.00 -0.88 -1.90 103.07 104.96 1b78 h GLY 57 Ca 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1b78 h GLY 57 CO -0.03 0.35 0.36 0.00 0.00 0.00 0.00 176.54 177.23 1b78 h ALA 58 N 0.96 0.84 -0.20 3.60 0.00 -0.59 -2.30 119.26 121.55 1b78 h ALA 58 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1b78 h ALA 58 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1b78 h ALA 58 CO -0.00 0.35 0.03 -0.22 0.00 0.00 0.00 179.25 179.41 1b78 h LYS 59 N 0.89 0.34 -0.23 0.00 3.64 -1.28 -1.74 116.57 118.19 1b78 h LYS 59 Ca 0.23 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1b78 h LYS 59 Cb 0.03 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1b78 h LYS 59 CO -0.04 0.49 -0.13 2.35 -2.27 0.00 0.00 179.45 179.85 1b78 h TRP 60 N 0.13 -0.32 -0.49 1.91 2.91 -1.23 0.18 115.95 119.04 1b78 h TRP 60 Ca 0.06 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.04 1b78 h TRP 60 Cb 0.32 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.12 1b78 h TRP 60 CO 0.02 -0.20 0.06 0.28 -1.03 0.00 0.00 178.44 177.57 1b78 h VAL 61 N -0.11 1.25 -0.76 2.65 2.07 -1.42 -2.85 116.25 117.08 1b78 h VAL 61 Ca 0.13 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1b78 h VAL 61 Cb 0.30 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1b78 h VAL 61 CO -0.30 0.34 0.30 0.22 0.02 0.00 0.00 177.57 178.15 1b78 h TYR 62 N 0.70 1.16 -0.05 1.57 3.20 -0.93 0.43 116.97 123.05 1b78 h TYR 62 Ca 0.15 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1b78 h TYR 62 Cb 0.43 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1b78 h TYR 62 CO 0.03 0.88 0.04 -0.97 -1.64 0.00 0.00 178.16 176.50 1b78 h ASN 63 N 1.11 0.00 0.04 -2.11 -0.73 -0.46 0.61 115.58 114.04 1b78 h ASN 63 Ca 0.25 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.23 1b78 h ASN 63 Cb 0.22 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 1b78 h ASN 63 CO -0.02 0.00 -1.04 0.40 -0.37 0.00 0.00 177.43 176.40 1b78 h ILE 64 N 0.00 1.15 0.16 2.57 2.04 -0.99 -3.41 117.51 119.04 1b78 h ILE 64 Ca 0.03 -2.30 -0.21 0.00 1.00 0.00 0.00 64.86 63.38 1b78 h ILE 64 Cb 0.11 2.67 0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1b78 h ILE 64 CO -0.00 0.53 -0.94 0.25 0.00 0.00 0.00 178.15 177.99 1b78 h LEU 65 N -0.74 0.53 -1.19 1.44 5.85 0.04 -3.48 115.31 117.75 1b78 h LEU 65 Ca -0.25 -0.95 -0.30 0.00 0.84 0.00 0.00 57.88 57.22 1b78 h LEU 65 Cb 1.41 -0.17 0.12 0.00 0.37 0.00 0.00 40.66 42.39 1b78 h LEU 65 CO -0.06 1.45 -0.58 0.29 -0.34 0.00 0.00 178.44 179.20 1b78 n LYS 66 N -4.06 -6.08 -3.72 1.25 5.02 0.21 -5.03 118.16 105.76 1b78 n LYS 66 Ca -0.15 0.68 -0.13 0.00 -2.02 0.00 0.00 58.31 56.69 1b78 n LYS 66 Cb 0.87 -5.24 -0.08 0.00 -0.02 0.00 0.00 35.03 30.56 1b78 n LYS 66 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b78 s LYS 67 N -5.71 0.77 -0.16 1.97 1.02 -1.26 -5.02 119.74 111.35 1b78 s LYS 67 Ca 0.30 -0.24 -0.39 0.00 0.02 0.00 0.00 55.97 55.66 1b78 s LYS 67 Cb -0.13 0.34 -0.15 0.00 -0.52 0.00 0.00 37.83 37.37 1b78 s LYS 67 CO 0.59 -0.23 1.66 -2.30 -0.92 0.00 0.00 175.35 174.15 1b78 n PRO 68 N 0.98 1.28 -4.07 -1.68 -0.02 -1.26 -4.81 135.00 125.42 1b78 n PRO 68 Ca -0.20 0.47 -0.08 0.00 -2.02 0.00 0.00 63.50 61.66 1b78 n PRO 68 Cb 0.57 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 1b78 n PRO 68 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1b78 s VAL 69 N 2.81 0.17 0.10 -1.45 0.11 -0.39 -1.74 120.40 120.01 1b78 s VAL 69 Ca 0.94 -1.73 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 1b78 s VAL 69 Cb -1.00 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.17 1b78 s VAL 69 CO 0.59 -0.78 -0.10 0.27 -3.33 0.00 0.00 175.10 171.76 1b78 s ILE 70 N -3.95 0.94 0.06 7.04 -4.36 0.82 -0.96 121.20 120.79 1b78 s ILE 70 Ca 0.12 -1.71 -0.03 0.00 -0.26 0.00 0.00 60.65 58.76 1b78 s ILE 70 Cb 0.07 -1.44 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 1b78 s ILE 70 CO -0.07 -0.61 0.03 -0.69 0.24 0.00 0.00 174.94 173.85 1b78 s VAL 71 N -2.66 0.20 -0.02 8.37 1.01 0.35 -1.78 120.40 125.87 1b78 s VAL 71 Ca 0.07 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.35 1b78 s VAL 71 Cb -0.01 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1b78 s VAL 71 CO -0.00 -0.89 0.17 -0.70 0.00 0.00 0.00 175.10 173.67 1b78 s GLU 72 N -3.90 0.44 -0.05 2.72 -6.30 -1.26 0.90 118.70 111.24 1b78 s GLU 72 Ca 0.07 -0.22 -0.03 0.00 -2.50 0.00 0.00 54.97 52.29 1b78 s GLU 72 Cb 0.07 0.19 0.03 0.00 0.00 0.00 0.00 34.13 34.42 1b78 s GLU 72 CO -0.10 -0.10 0.13 0.34 0.02 0.00 0.00 175.26 175.54 1b78 s ASP 73 N -1.02 -0.10 0.31 -1.70 3.68 0.01 -4.99 116.67 112.85 1b78 s ASP 73 Ca -0.11 0.26 0.06 0.00 2.13 0.00 0.00 52.55 54.89 1b78 s ASP 73 Cb -0.06 0.19 -0.06 0.00 -1.45 0.00 0.00 42.92 41.54 1b78 s ASP 73 CO 0.02 -0.11 -0.03 -0.44 0.13 0.00 0.00 175.17 174.74 1b78 s SER 74 N 0.76 2.87 0.08 -0.34 0.01 -1.26 -0.22 113.70 115.61 1b78 s SER 74 Ca -0.06 -1.24 -0.26 0.00 1.31 0.00 0.00 55.95 55.70 1b78 s SER 74 Cb -0.08 -0.19 0.08 0.00 0.21 0.00 0.00 66.02 66.05 1b78 s SER 74 CO -0.04 -0.39 0.85 -0.83 0.41 0.00 0.00 173.24 173.24 1b78 s GLY 75 N -3.49 -0.40 -0.19 3.44 0.00 -0.58 -4.81 107.32 101.29 1b78 s GLY 75 Ca 0.32 0.59 -0.04 0.00 0.00 0.00 0.00 44.72 45.59 1b78 s GLY 75 CO 0.14 0.19 -0.04 -0.12 0.00 0.00 0.00 173.10 173.26 1b78 s PHE 76 N -3.32 2.98 -0.16 1.90 5.99 -1.24 -1.55 117.98 122.58 1b78 s PHE 76 Ca 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 56.93 56.44 1b78 s PHE 76 Cb -0.01 -2.03 0.01 0.00 0.00 0.00 0.00 43.02 40.99 1b78 s PHE 76 CO -0.05 -0.27 -0.21 -0.06 -0.00 0.00 0.00 175.22 174.62 1b78 s PHE 77 N 0.89 2.71 -0.23 10.12 0.08 0.06 -0.52 117.98 131.09 1b78 s PHE 77 Ca -0.00 -1.45 -0.06 0.00 0.12 0.00 0.00 56.93 55.53 1b78 s PHE 77 Cb -0.15 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 1b78 s PHE 77 CO 0.01 -0.68 0.02 0.08 -0.10 0.00 0.00 175.22 174.55 1b78 s VAL 78 N 1.00 3.96 0.11 -0.44 1.01 -0.61 -1.12 120.40 124.30 1b78 s VAL 78 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1b78 s VAL 78 Cb -0.15 -2.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 1b78 s VAL 78 CO -0.06 0.38 1.60 -0.33 0.00 0.00 0.00 175.10 176.69 1b78 h GLU 79 N 8.09 -0.60 0.00 2.72 5.08 -1.61 -0.63 114.58 127.62 1b78 h GLU 79 Ca -0.39 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1b78 h GLU 79 Cb 1.17 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1b78 h GLU 79 CO 0.59 -0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1b78 n ALA 80 N -2.76 1.13 -0.89 3.43 0.00 -1.26 -0.69 120.51 119.47 1b78 n ALA 80 Ca -0.07 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1b78 n ALA 80 Cb 0.36 -1.30 0.35 0.00 0.00 0.00 0.00 19.45 18.86 1b78 n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b78 n LEU 81 N -2.17 4.95 -3.54 0.00 4.32 -0.54 -4.94 117.00 115.07 1b78 n LEU 81 Ca -0.01 -2.89 -0.26 0.00 -0.02 0.00 0.00 56.01 52.84 1b78 n LEU 81 Cb 0.06 -0.62 0.04 0.00 -1.62 0.00 0.00 43.42 41.28 1b78 n LEU 81 CO 0.10 0.67 0.10 0.59 -1.22 0.00 0.00 177.39 177.63 1b78 n ASN 82 N 0.29 -5.45 0.00 -1.43 5.03 0.13 -1.86 115.26 111.97 1b78 n ASN 82 Ca 0.25 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 55.16 1b78 n ASN 82 Cb 1.05 -4.36 0.00 0.00 -1.02 0.00 0.00 39.78 35.45 1b78 n ASN 82 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1b78 n GLY 83 N -1.68 2.02 3.76 7.41 0.00 -0.36 -4.99 105.19 111.35 1b78 n GLY 83 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1b78 n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b78 s PHE 84 N -2.32 2.66 0.09 1.61 5.36 -0.78 -2.34 117.98 122.26 1b78 s PHE 84 Ca 0.00 1.46 0.14 0.00 -0.96 0.00 0.00 56.93 57.57 1b78 s PHE 84 Cb 0.00 -3.57 0.27 0.00 -0.34 0.00 0.00 43.02 39.37 1b78 s PHE 84 CO 0.00 -2.09 1.54 -1.00 -1.46 0.00 0.00 175.22 172.21 1b78 h PRO 85 N 1.95 0.00 0.00 10.12 0.13 -1.87 -1.63 132.00 140.70 1b78 h PRO 85 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1b78 h PRO 85 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1b78 h PRO 85 CO 0.60 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 1b78 n GLY 86 N 0.74 3.81 0.06 1.56 0.00 0.32 -2.33 105.19 109.35 1b78 n GLY 86 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1b78 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b78 n THR 87 N 0.00 0.64 -1.03 2.61 -2.24 -1.26 -2.43 114.28 110.57 1b78 n THR 87 Ca 0.00 0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1b78 n THR 87 Cb 0.00 -0.84 0.28 0.00 -2.10 0.00 0.00 70.33 67.66 1b78 n THR 87 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1b78 n TYR 88 N -1.87 2.56 -0.13 4.78 4.01 -0.98 -4.64 117.16 120.89 1b78 n TYR 88 Ca 0.04 -1.31 -0.04 0.00 -0.16 0.00 0.00 57.90 56.44 1b78 n TYR 88 Cb 0.28 -0.74 0.04 0.00 -0.31 0.00 0.00 39.34 38.61 1b78 n TYR 88 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1b78 h SER 89 N 2.32 -0.20 0.10 7.72 0.02 -1.59 -1.60 113.55 120.32 1b78 h SER 89 Ca 0.34 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1b78 h SER 89 Cb 2.43 0.19 0.00 0.00 0.14 0.00 0.00 62.40 65.16 1b78 h SER 89 CO 0.81 -0.06 -0.05 0.11 -1.14 0.00 0.00 176.83 176.50 1b78 h LYS 90 N 0.10 -0.12 -0.25 3.45 1.57 -1.88 -1.44 116.57 118.00 1b78 h LYS 90 Ca 0.22 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1b78 h LYS 90 Cb 0.32 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1b78 h LYS 90 CO -0.37 -0.01 -0.14 0.35 -0.57 0.00 0.00 179.45 178.71 1b78 h PHE 91 N -0.21 -0.35 -0.18 -1.35 3.04 -1.87 -1.89 116.94 114.13 1b78 h PHE 91 Ca -0.01 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 1b78 h PHE 91 Cb 0.17 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1b78 h PHE 91 CO -0.05 -0.21 -0.11 0.28 -2.02 0.00 0.00 178.31 176.21 1b78 h VAL 92 N -0.12 1.18 -0.49 1.41 2.07 -1.24 -1.43 116.25 117.63 1b78 h VAL 92 Ca 0.13 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1b78 h VAL 92 Cb 0.32 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1b78 h VAL 92 CO -0.32 0.25 -0.13 -0.61 0.02 0.00 0.00 177.57 176.78 1b78 h GLN 93 N 0.28 0.92 0.00 1.57 5.75 -0.63 -0.29 115.11 122.72 1b78 h GLN 93 Ca 0.06 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.16 1b78 h GLN 93 Cb 0.37 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1b78 h GLN 93 CO 0.02 0.99 -0.26 0.93 -2.65 0.00 0.00 178.83 177.86 1b78 h GLU 94 N 0.82 0.00 0.01 1.69 5.08 -0.71 -1.72 114.58 119.76 1b78 h GLU 94 Ca 0.13 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.19 1b78 h GLU 94 Cb 0.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1b78 h GLU 94 CO 0.05 0.26 -1.63 0.25 -1.00 0.00 0.00 179.01 176.94 1b78 n THR 95 N -3.18 1.56 0.00 1.13 -2.24 -0.60 -4.73 114.28 106.22 1b78 n THR 95 Ca 0.03 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1b78 n THR 95 Cb 0.62 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1b78 n THR 95 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1b78 n ILE 96 N -4.28 0.00 -3.86 2.28 -5.35 -0.39 -5.07 119.36 102.69 1b78 n ILE 96 Ca -0.37 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 1b78 n ILE 96 Cb 0.77 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1b78 n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b78 n GLY 97 N 1.26 0.47 0.18 3.28 0.00 -0.26 -0.99 105.19 109.13 1b78 n GLY 97 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.22 1b78 n GLY 97 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1b78 h ASN 98 N 0.00 0.00 -0.34 1.61 -0.26 -1.89 -2.81 115.58 111.89 1b78 h ASN 98 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 1b78 h ASN 98 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1b78 h ASN 98 CO 0.00 0.39 -0.11 -0.33 -1.06 0.00 0.00 177.43 176.33 1b78 h GLU 99 N 0.00 0.78 -0.66 0.81 4.39 -1.98 -1.51 114.58 116.40 1b78 h GLU 99 Ca -0.00 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 1b78 h GLU 99 Cb 0.73 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1b78 h GLU 99 CO 0.05 0.86 0.16 0.78 -1.16 0.00 0.00 179.01 179.69 1b78 h GLY 100 N 0.97 1.13 0.95 -3.84 0.00 -0.81 0.03 103.07 101.51 1b78 h GLY 100 Ca 0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 1b78 h GLY 100 CO 0.04 0.65 0.01 -2.22 0.00 0.00 0.00 176.54 175.02 1b78 h ILE 101 N 1.00 1.26 -0.52 2.60 1.08 -1.28 0.03 117.51 121.69 1b78 h ILE 101 Ca 0.21 -1.00 -0.05 0.00 -0.39 0.00 0.00 64.86 63.64 1b78 h ILE 101 Cb 0.36 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1b78 h ILE 101 CO 0.00 0.34 0.15 -0.07 -0.69 0.00 0.00 178.15 177.88 1b78 h LEU 102 N 0.56 0.77 -0.25 1.44 3.38 -1.08 -0.26 115.31 119.87 1b78 h LEU 102 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1b78 h LEU 102 Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1b78 h LEU 102 CO 0.02 0.78 0.15 0.50 0.09 0.00 0.00 178.44 179.98 1b78 h LYS 103 N 0.71 0.34 -0.83 1.13 1.63 -0.85 -1.82 116.57 116.88 1b78 h LYS 103 Ca 0.16 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 60.03 1b78 h LYS 103 Cb 0.30 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.80 1b78 h LYS 103 CO -0.00 0.26 0.54 -0.07 -3.45 0.00 0.00 179.45 176.73 1b78 h LEU 104 N 0.32 0.73 -0.95 5.20 4.07 -0.47 -1.83 115.31 122.38 1b78 h LEU 104 Ca 0.09 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1b78 h LEU 104 Cb 0.01 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1b78 h LEU 104 CO -0.02 0.44 0.00 0.18 -1.08 0.00 0.00 178.44 177.96 1b78 n LEU 105 N -4.51 1.47 -4.67 1.67 4.32 -0.16 -4.89 117.00 110.22 1b78 n LEU 105 Ca 0.14 -0.51 -0.51 0.00 -0.02 0.00 0.00 56.01 55.11 1b78 n LEU 105 Cb 0.30 -0.02 -0.05 0.00 -1.62 0.00 0.00 43.42 42.03 1b78 n LEU 105 CO 0.32 0.25 1.30 1.21 -1.22 0.00 0.00 177.39 179.26 1b78 n GLU 106 N 0.15 1.75 -1.00 3.23 2.13 -0.69 -0.69 120.64 125.52 1b78 n GLU 106 Ca 0.19 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1b78 n GLU 106 Cb 0.34 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1b78 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b78 n GLY 107 N 3.89 0.34 3.74 8.31 0.00 -1.26 -5.00 105.19 115.21 1b78 n GLY 107 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1b78 n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b78 s LYS 108 N -0.66 4.38 0.08 1.61 2.47 0.13 -4.96 119.74 122.80 1b78 s LYS 108 Ca 0.00 0.78 -0.14 0.00 -1.56 0.00 0.00 55.97 55.05 1b78 s LYS 108 Cb 0.00 -3.40 -0.20 0.00 -1.46 0.00 0.00 37.83 32.77 1b78 s LYS 108 CO 0.00 0.22 1.23 -0.44 0.16 0.00 0.00 175.35 176.52 1b78 h ASP 109 N 6.21 0.93 -3.61 1.43 5.19 -1.94 -3.41 116.42 121.21 1b78 h ASP 109 Ca -0.43 -0.70 -0.62 0.00 -0.62 0.00 0.00 57.03 54.67 1b78 h ASP 109 Cb 1.20 -0.28 -0.12 0.00 0.18 0.00 0.00 39.33 40.30 1b78 h ASP 109 CO 0.73 1.50 0.40 0.21 -3.12 0.00 0.00 179.24 178.96 1b78 s ASN 110 N -7.23 6.46 -0.05 6.45 2.47 -1.26 -4.88 114.94 116.90 1b78 s ASN 110 Ca -0.10 0.05 0.12 0.00 0.42 0.00 0.00 52.86 53.35 1b78 s ASN 110 Cb 0.07 -2.40 0.36 0.00 -1.45 0.00 0.00 41.25 37.84 1b78 s ASN 110 CO 0.92 -0.90 1.30 0.54 -3.72 0.00 0.00 177.10 175.24 1b78 n ARG 111 N 6.73 2.89 -1.92 0.43 1.74 -1.26 -4.33 116.66 120.93 1b78 n ARG 111 Ca 0.03 -2.27 -0.39 0.00 -0.77 0.00 0.00 57.85 54.45 1b78 n ARG 111 Cb 0.48 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1b78 n ARG 111 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1b78 s ASN 112 N -1.29 5.78 0.33 0.55 0.02 -1.26 0.52 114.94 119.58 1b78 s ASN 112 Ca 0.28 2.70 -0.15 0.00 -1.02 0.00 0.00 52.86 54.68 1b78 s ASN 112 Cb 0.18 -2.64 0.03 0.00 0.02 0.00 0.00 41.25 38.85 1b78 s ASN 112 CO 0.13 -1.22 0.67 0.00 0.02 0.00 0.00 177.10 176.70 1b78 s ALA 113 N -1.31 -0.57 0.13 0.60 0.00 -0.63 -1.61 121.76 118.37 1b78 s ALA 113 Ca 0.65 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.63 1b78 s ALA 113 Cb -0.39 0.86 0.06 0.00 0.00 0.00 0.00 23.12 23.65 1b78 s ALA 113 CO 0.48 -0.95 0.54 1.52 0.00 0.00 0.00 175.76 177.35 1b78 s TYR 114 N -3.16 -0.44 0.12 0.00 1.13 -0.28 -0.09 117.35 114.63 1b78 s TYR 114 Ca 0.18 0.25 0.07 0.00 -1.41 0.00 0.00 57.07 56.16 1b78 s TYR 114 Cb -0.04 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 1b78 s TYR 114 CO 0.11 -0.79 -0.09 -0.06 -2.51 0.00 0.00 175.55 172.21 1b78 s PHE 115 N -3.57 2.73 -0.03 -3.49 0.40 -0.42 -0.76 117.98 112.84 1b78 s PHE 115 Ca 0.01 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1b78 s PHE 115 Cb -0.00 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 42.13 1b78 s PHE 115 CO -0.11 0.45 0.16 0.21 0.70 0.00 0.00 175.22 176.63 1b78 s LYS 116 N -2.37 0.35 -0.02 0.44 2.20 -0.59 -1.90 119.74 117.85 1b78 s LYS 116 Ca 0.22 -0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1b78 s LYS 116 Cb -0.11 0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1b78 s LYS 116 CO 0.14 -0.07 -0.11 0.99 -0.36 0.00 0.00 175.35 175.94 1b78 s THR 117 N -0.68 0.92 -0.11 3.43 2.01 -0.26 -1.53 115.64 119.42 1b78 s THR 117 Ca -0.08 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1b78 s THR 117 Cb -0.05 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.69 1b78 s THR 117 CO 0.01 0.27 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.42 1b78 s VAL 118 N 0.02 1.22 -0.13 3.82 1.01 0.69 -1.97 120.40 125.05 1b78 s VAL 118 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1b78 s VAL 118 Cb -0.08 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1b78 s VAL 118 CO 0.00 0.39 0.31 -0.63 0.00 0.00 0.00 175.10 175.18 1b78 s ILE 119 N 1.40 5.27 -0.27 2.22 1.01 0.06 -0.81 121.20 130.08 1b78 s ILE 119 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 60.65 61.18 1b78 s ILE 119 Cb -0.13 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1b78 s ILE 119 CO -0.06 0.44 0.07 -0.83 0.00 0.00 0.00 174.94 174.56 1b78 s GLY 120 N 0.08 1.76 0.01 6.18 0.00 0.26 -1.99 107.32 113.62 1b78 s GLY 120 Ca 0.18 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.65 1b78 s GLY 120 CO 0.06 0.58 -0.05 -0.47 0.00 0.00 0.00 173.10 173.22 1b78 s TYR 121 N 1.56 2.93 -0.19 1.90 5.04 -0.11 -0.50 117.35 127.98 1b78 s TYR 121 Ca 0.05 -0.02 -0.13 0.00 -2.44 0.00 0.00 57.07 54.53 1b78 s TYR 121 Cb -0.16 -1.61 0.06 0.00 0.35 0.00 0.00 41.96 40.60 1b78 s TYR 121 CO 0.03 0.40 0.47 0.00 -1.34 0.00 0.00 175.55 175.10 1b78 n ASP 123 N 3.77 0.00 -0.26 0.00 5.68 -1.08 -1.26 116.55 123.39 1b78 n ASP 123 Ca -0.19 -0.33 0.18 0.00 -0.50 0.00 0.00 54.79 53.95 1b78 n ASP 123 Cb 0.56 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.02 1b78 n ASP 123 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1b78 h GLU 124 N 0.00 0.46 -0.06 0.11 9.09 -1.95 -1.23 114.58 120.99 1b78 h GLU 124 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1b78 h GLU 124 Cb 0.00 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1b78 h GLU 124 CO 0.00 0.30 0.00 0.09 0.05 0.00 0.00 179.01 179.45 1b78 n ASN 125 N -4.55 0.89 0.00 3.06 3.02 -1.26 -5.05 115.26 111.38 1b78 n ASN 125 Ca 0.20 -1.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1b78 n ASN 125 Cb 0.68 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1b78 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b78 n GLY 126 N 1.02 -1.06 3.85 7.41 0.00 -0.47 -5.04 105.19 110.90 1b78 n GLY 126 Ca 0.17 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1b78 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b78 s VAL 127 N -0.86 5.02 -0.02 1.61 1.01 -1.26 -2.64 120.40 123.26 1b78 s VAL 127 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1b78 s VAL 127 Cb 0.00 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1b78 s VAL 127 CO 0.00 0.43 -0.06 -0.13 0.00 0.00 0.00 175.10 175.34 1b78 s ARG 128 N -1.50 0.69 -0.06 2.72 0.52 -0.11 -4.98 118.95 116.22 1b78 s ARG 128 Ca 0.29 -0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 1b78 s ARG 128 Cb -0.16 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.60 1b78 s ARG 128 CO 0.16 0.04 0.02 -0.51 0.02 0.00 0.00 175.30 175.03 1b78 s LEU 129 N 0.35 3.67 -0.06 2.53 1.43 -1.26 -0.94 118.68 124.41 1b78 s LEU 129 Ca -0.04 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1b78 s LEU 129 Cb -0.09 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1b78 s LEU 129 CO -0.00 0.35 -0.11 -0.36 0.23 0.00 0.00 176.35 176.46 1b78 s PHE 130 N -0.97 1.29 0.16 0.29 0.08 -0.84 -4.98 117.98 113.00 1b78 s PHE 130 Ca 0.16 -0.45 0.10 0.00 0.12 0.00 0.00 56.93 56.87 1b78 s PHE 130 Cb -0.11 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1b78 s PHE 130 CO 0.05 -0.24 -0.24 0.15 -0.10 0.00 0.00 175.22 174.85 1b78 s LYS 131 N 0.64 1.39 -0.06 0.44 1.02 -1.26 -0.76 119.74 121.16 1b78 s LYS 131 Ca -0.13 -1.40 -0.04 0.00 0.02 0.00 0.00 55.97 54.42 1b78 s LYS 131 Cb -0.15 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 1b78 s LYS 131 CO 0.03 0.39 0.15 0.20 -0.92 0.00 0.00 175.35 175.20 1b78 s GLY 132 N -2.36 -0.09 0.06 -3.33 0.00 -0.83 -4.03 107.32 96.74 1b78 s GLY 132 Ca 0.16 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.40 1b78 s GLY 132 CO 0.07 0.56 -0.06 -0.42 0.00 0.00 0.00 173.10 173.25 1b78 s ILE 133 N 0.42 0.52 -0.16 0.90 1.01 -1.26 -1.10 121.20 121.53 1b78 s ILE 133 Ca -0.03 -1.51 -0.04 0.00 0.00 0.00 0.00 60.65 59.07 1b78 s ILE 133 Cb -0.04 -1.14 0.08 0.00 0.01 0.00 0.00 42.46 41.37 1b78 s ILE 133 CO -0.02 -0.67 0.24 0.54 0.00 0.00 0.00 174.94 175.02 1b78 s VAL 134 N -2.64 -0.37 0.38 2.92 0.11 -0.80 -4.53 120.40 115.47 1b78 s VAL 134 Ca 0.01 0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1b78 s VAL 134 Cb -0.01 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1b78 s VAL 134 CO -0.03 -0.03 0.68 -0.54 -3.33 0.00 0.00 175.10 171.85 1b78 s LYS 135 N 2.37 3.66 0.00 1.54 1.02 -1.26 -1.30 119.74 125.77 1b78 s LYS 135 Ca 0.05 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1b78 s LYS 135 Cb -0.14 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1b78 s LYS 135 CO -0.10 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1b78 n GLY 136 N -1.40 1.58 3.31 -3.33 0.00 0.87 -1.30 105.19 104.93 1b78 n GLY 136 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1b78 n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1b78 s ARG 137 N 3.78 1.06 -0.20 1.61 1.70 -0.40 -1.61 118.95 124.89 1b78 s ARG 137 Ca 0.00 -0.73 -0.18 0.00 -0.47 0.00 0.00 55.73 54.35 1b78 s ARG 137 Cb 0.00 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 1b78 s ARG 137 CO 0.00 -0.41 0.49 0.08 -1.08 0.00 0.00 175.30 174.38 1b78 s VAL 138 N -3.81 5.13 0.85 4.99 1.01 0.18 -0.63 120.40 128.12 1b78 s VAL 138 Ca 0.03 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 1b78 s VAL 138 Cb 0.02 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.69 1b78 s VAL 138 CO -0.12 0.19 1.16 -0.94 0.00 0.00 0.00 175.10 175.39 1b78 s SER 139 N 1.14 3.45 0.00 3.32 1.04 0.07 -4.89 113.70 117.83 1b78 s SER 139 Ca 0.23 2.19 0.30 0.00 0.48 0.00 0.00 55.95 59.15 1b78 s SER 139 Cb -0.15 -2.57 1.47 0.00 0.10 0.00 0.00 66.02 64.87 1b78 s SER 139 CO 0.09 -2.75 2.01 -0.62 0.98 0.00 0.00 173.24 172.95 1b78 n GLU 140 N -3.74 0.64 -3.77 4.02 1.02 -1.26 -4.88 120.64 112.66 1b78 n GLU 140 Ca 0.12 -0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1b78 n GLU 140 Cb 0.52 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 1b78 n GLU 140 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1b78 s GLU 141 N -2.43 1.65 0.02 3.49 1.03 -1.26 -5.06 118.70 116.13 1b78 s GLU 141 Ca 0.32 -0.89 -0.30 0.00 0.03 0.00 0.00 54.97 54.12 1b78 s GLU 141 Cb 0.20 0.59 -0.06 0.00 -0.80 0.00 0.00 34.13 34.07 1b78 s GLU 141 CO 0.45 -0.74 1.32 0.42 -1.33 0.00 0.00 175.26 175.38 1b78 s ILE 142 N -3.89 3.79 -0.09 1.83 1.01 -1.26 -4.71 121.20 117.88 1b78 s ILE 142 Ca 0.10 1.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 1b78 s ILE 142 Cb -0.04 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.67 1b78 s ILE 142 CO 0.02 0.04 -0.04 -0.13 0.00 0.00 0.00 174.94 174.83 1b78 s ARG 143 N 1.86 1.06 -0.04 2.79 0.52 -0.32 -5.05 118.95 119.78 1b78 s ARG 143 Ca 0.62 -0.09 -0.20 0.00 -0.52 0.00 0.00 55.73 55.54 1b78 s ARG 143 Cb -0.31 -1.23 0.04 0.00 0.52 0.00 0.00 34.95 33.97 1b78 s ARG 143 CO 0.27 -0.25 0.43 0.45 0.02 0.00 0.00 175.30 176.22 1b78 s SER 144 N 1.69 -0.35 -0.10 0.23 0.15 -1.26 -4.38 113.70 109.68 1b78 s SER 144 Ca 0.02 0.34 0.14 0.00 0.70 0.00 0.00 55.95 57.16 1b78 s SER 144 Cb -0.13 0.43 0.22 0.00 -1.71 0.00 0.00 66.02 64.83 1b78 s SER 144 CO -0.06 -0.47 1.11 0.29 1.20 0.00 0.00 173.24 175.31 1b78 n LYS 145 N 1.30 1.59 -1.06 5.44 4.01 0.13 -4.88 118.16 124.68 1b78 n LYS 145 Ca -0.20 -2.29 0.00 0.00 -0.51 0.00 0.00 58.31 55.31 1b78 n LYS 145 Cb 0.56 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1b78 n LYS 145 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1b78 n GLY 146 N -1.18 0.64 0.33 0.72 0.00 -1.22 -4.99 105.19 99.49 1b78 n GLY 146 Ca 0.12 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1b78 n GLY 146 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b78 n TYR 147 N -2.95 0.00 -3.93 1.61 4.01 -1.02 -5.06 117.16 109.82 1b78 n TYR 147 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1b78 n TYR 147 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1b78 n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b78 n GLY 148 N 1.14 4.36 3.21 2.72 0.00 -1.26 -4.78 105.19 110.59 1b78 n GLY 148 Ca 0.06 -2.20 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 1b78 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b78 s PHE 149 N -0.86 1.75 0.00 1.61 0.08 -1.26 -5.00 117.98 114.30 1b78 s PHE 149 Ca 0.00 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1b78 s PHE 149 Cb 0.00 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 1b78 s PHE 149 CO 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 175.22 175.12 1b78 n ALA 150 N 2.40 0.00 0.00 5.36 0.00 -1.26 -1.47 120.51 125.54 1b78 n ALA 150 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1b78 n ALA 150 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1b78 n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b78 n TYR 151 N 9.46 0.00 0.30 0.00 4.02 -1.26 -3.07 117.16 126.62 1b78 n TYR 151 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.08 1b78 n TYR 151 Cb 0.00 -0.43 1.02 0.00 -0.02 0.00 0.00 39.34 39.91 1b78 n TYR 151 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1b78 h ASP 152 N 0.00 0.00 -0.04 7.72 3.32 -1.63 -1.43 116.42 124.36 1b78 h ASP 152 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1b78 h ASP 152 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1b78 h ASP 152 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 1b78 n SER 153 N -3.45 0.97 0.00 6.45 3.41 -1.17 -0.83 113.62 118.99 1b78 n SER 153 Ca -0.02 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1b78 n SER 153 Cb 0.15 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1b78 n SER 153 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1b78 n ILE 154 N -0.21 0.31 -3.91 -1.33 -5.35 -0.56 -1.17 119.36 107.14 1b78 n ILE 154 Ca 0.19 -0.38 -0.35 0.00 -0.27 0.00 0.00 62.75 61.93 1b78 n ILE 154 Cb 0.25 1.02 -0.14 0.00 -1.74 0.00 0.00 39.64 39.03 1b78 n ILE 154 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1b78 s PHE 155 N -0.31 2.99 -0.33 4.28 2.19 -1.08 -0.75 117.98 124.96 1b78 s PHE 155 Ca 0.00 -0.79 -0.10 0.00 0.33 0.00 0.00 56.93 56.38 1b78 s PHE 155 Cb 0.00 -2.12 0.00 0.00 -1.31 0.00 0.00 43.02 39.59 1b78 s PHE 155 CO 0.00 -0.48 0.16 0.42 1.83 0.00 0.00 175.22 177.15 1b78 s ILE 156 N 1.43 4.50 0.29 3.12 1.01 0.20 -0.84 121.20 130.92 1b78 s ILE 156 Ca 0.05 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.83 1b78 s ILE 156 Cb -0.14 -3.36 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 1b78 s ILE 156 CO -0.01 -0.01 1.05 -2.16 0.00 0.00 0.00 174.94 173.80 1b78 s PRO 157 N 1.58 4.61 0.00 2.79 0.04 -1.26 -1.28 135.00 141.47 1b78 s PRO 157 Ca 0.04 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1b78 s PRO 157 Cb -0.18 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1b78 s PRO 157 CO 0.06 0.22 0.00 0.39 0.04 0.00 0.00 177.00 177.71 1b78 n GLU 158 N 1.01 0.00 -0.23 4.56 1.02 -0.42 -0.80 120.64 125.79 1b78 n GLU 158 Ca -0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1b78 n GLU 158 Cb 0.46 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.14 1b78 n GLU 158 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1b78 n GLU 159 N 0.00 2.45 -1.21 3.49 -0.58 -1.26 -4.89 120.64 118.64 1b78 n GLU 159 Ca 0.00 -2.22 -0.29 0.00 -0.42 0.00 0.00 57.16 54.24 1b78 n GLU 159 Cb 0.00 -1.51 0.18 0.00 -0.57 0.00 0.00 31.44 29.54 1b78 n GLU 159 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1b78 s GLU 160 N -1.39 0.40 0.00 3.49 0.41 0.02 -4.98 118.70 116.66 1b78 s GLU 160 Ca 0.40 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.41 1b78 s GLU 160 Cb 0.22 -1.74 0.00 0.00 -1.78 0.00 0.00 34.13 30.84 1b78 s GLU 160 CO 0.31 -2.74 0.27 0.39 -0.49 0.00 0.00 175.26 173.01 1b78 n GLU 161 N -4.17 1.51 -4.03 1.61 1.02 -1.26 -4.83 120.64 110.50 1b78 n GLU 161 Ca 0.05 -0.27 -0.28 0.00 -0.02 0.00 0.00 57.16 56.64 1b78 n GLU 161 Cb 0.58 -0.75 -0.05 0.00 -0.02 0.00 0.00 31.44 31.20 1b78 n GLU 161 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1b78 s ARG 162 N -0.29 3.06 0.58 3.49 0.52 -1.26 -5.06 118.95 119.98 1b78 s ARG 162 Ca 0.00 -0.71 -0.06 0.00 -0.52 0.00 0.00 55.73 54.45 1b78 s ARG 162 Cb 0.00 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1b78 s ARG 162 CO 0.00 0.53 0.89 0.95 0.02 0.00 0.00 175.30 177.69 1b78 s THR 163 N -1.60 3.80 0.37 0.02 -4.23 -1.26 -4.21 115.64 108.53 1b78 s THR 163 Ca 0.32 0.02 0.13 0.00 -1.18 0.00 0.00 61.69 60.98 1b78 s THR 163 Cb -0.11 -3.50 0.35 0.00 1.34 0.00 0.00 72.50 70.58 1b78 s THR 163 CO 0.24 -0.51 1.81 -0.26 -0.54 0.00 0.00 174.62 175.36 1b78 h PHE 164 N -0.12 0.77 0.00 3.99 0.04 -0.62 0.12 116.94 121.12 1b78 h PHE 164 Ca -0.46 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1b78 h PHE 164 Cb 1.25 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1b78 h PHE 164 CO 0.48 0.16 0.00 0.00 -0.60 0.00 0.00 178.31 178.36 1b78 n ALA 165 N -2.44 2.25 0.67 2.45 0.00 -0.01 -1.92 120.51 121.50 1b78 n ALA 165 Ca 0.22 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1b78 n ALA 165 Cb 0.69 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.83 1b78 n ALA 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b78 n GLU 166 N -1.16 1.26 -4.46 0.00 1.02 0.02 0.20 120.64 117.53 1b78 n GLU 166 Ca 0.14 -1.42 -0.31 0.00 -0.02 0.00 0.00 57.16 55.55 1b78 n GLU 166 Cb 0.13 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 1b78 n GLU 166 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1b78 s MET 167 N -1.37 2.39 0.76 3.49 -1.94 -0.81 -4.86 119.30 116.96 1b78 s MET 167 Ca 0.18 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 53.22 1b78 s MET 167 Cb 0.13 -2.41 0.05 0.00 2.01 0.00 0.00 34.83 34.61 1b78 s MET 167 CO 0.21 0.57 1.12 0.95 -0.01 0.00 0.00 175.02 177.87 1b78 s THR 168 N -1.02 2.94 0.29 2.05 -4.23 -1.26 -4.76 115.64 109.64 1b78 s THR 168 Ca 0.17 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1b78 s THR 168 Cb -0.11 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.76 1b78 s THR 168 CO 0.08 -0.40 1.90 0.74 -0.54 0.00 0.00 174.62 176.41 1b78 h THR 169 N -0.87 1.06 -0.04 3.99 2.02 -1.95 -1.94 112.91 115.17 1b78 h THR 169 Ca -0.46 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 1b78 h THR 169 Cb 1.28 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1b78 h THR 169 CO 0.64 0.19 -0.62 1.05 0.37 0.00 0.00 175.52 177.15 1b78 h GLU 170 N 1.06 0.16 0.00 6.66 9.09 -1.99 -1.17 114.58 128.39 1b78 h GLU 170 Ca 0.41 -0.11 -0.03 0.00 0.05 0.00 0.00 59.36 59.67 1b78 h GLU 170 Cb 0.22 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1b78 h GLU 170 CO -0.16 0.73 -0.16 0.93 0.05 0.00 0.00 179.01 180.40 1b78 h GLU 171 N 0.12 0.00 -0.01 1.06 5.08 -1.73 -2.82 114.58 116.28 1b78 h GLU 171 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1b78 h GLU 171 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1b78 h GLU 171 CO 0.09 0.16 -0.46 1.63 -1.00 0.00 0.00 179.01 179.44 1b78 n LYS 172 N -3.38 1.51 -0.13 2.33 5.02 -1.00 -4.68 118.16 117.82 1b78 n LYS 172 Ca -0.00 -0.71 0.15 0.00 -2.02 0.00 0.00 58.31 55.74 1b78 n LYS 172 Cb 0.36 -1.33 0.53 0.00 -0.02 0.00 0.00 35.03 34.57 1b78 n LYS 172 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1b78 h SER 173 N 1.62 0.33 0.00 4.39 4.64 -0.94 -2.70 113.55 120.89 1b78 h SER 173 Ca 0.00 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 1b78 h SER 173 Cb 0.57 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1b78 h SER 173 CO 0.00 0.18 -2.03 0.00 -0.87 0.00 0.00 176.83 174.11 1b78 n GLN 174 N -4.46 0.67 0.03 4.77 1.13 -1.26 -4.61 117.38 113.65 1b78 n GLN 174 Ca 0.13 -0.15 0.11 0.00 -1.94 0.00 0.00 57.00 55.15 1b78 n GLN 174 Cb 0.51 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.32 1b78 n GLN 174 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1b78 n ILE 175 N -2.33 0.22 -1.64 5.09 -5.35 -1.18 -4.75 119.36 109.42 1b78 n ILE 175 Ca -0.10 -0.38 -0.34 0.00 -0.27 0.00 0.00 62.75 61.67 1b78 n ILE 175 Cb 0.67 0.06 0.07 0.00 -1.74 0.00 0.00 39.64 38.69 1b78 n ILE 175 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1b78 s SER 176 N -4.40 4.71 0.30 7.28 1.04 -1.03 -4.70 113.70 116.91 1b78 s SER 176 Ca -0.01 2.19 -0.02 0.00 0.48 0.00 0.00 55.95 58.60 1b78 s SER 176 Cb 0.13 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 64.14 1b78 s SER 176 CO 0.83 -1.90 1.96 1.12 0.98 0.00 0.00 173.24 176.23 1b78 h HIS 177 N -0.02 1.04 -0.15 5.02 2.07 -1.85 -0.71 115.15 120.56 1b78 h HIS 177 Ca -0.47 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.05 1b78 h HIS 177 Cb 1.27 -0.35 -0.01 0.00 2.57 0.00 0.00 27.41 30.90 1b78 h HIS 177 CO 0.51 0.64 0.01 0.00 -3.07 0.00 0.00 177.93 176.01 1b78 h ARG 178 N 1.11 0.26 -0.34 5.12 3.08 -1.91 -1.81 114.38 119.88 1b78 h ARG 178 Ca 0.32 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1b78 h ARG 178 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1b78 h ARG 178 CO -0.08 0.46 0.19 -0.22 -1.07 0.00 0.00 179.97 179.25 1b78 h LYS 179 N 0.02 0.47 -0.17 0.04 1.63 -1.76 -2.54 116.57 114.25 1b78 h LYS 179 Ca 0.04 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1b78 h LYS 179 Cb 0.34 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1b78 h LYS 179 CO 0.01 0.39 -0.04 0.87 -3.45 0.00 0.00 179.45 177.22 1b78 h LYS 180 N 0.42 0.25 -0.12 1.90 1.57 -1.10 -1.59 116.57 117.92 1b78 h LYS 180 Ca 0.12 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.63 1b78 h LYS 180 Cb 0.05 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1b78 h LYS 180 CO -0.02 0.32 -0.82 0.00 -0.57 0.00 0.00 179.45 178.36 1b78 h ALA 181 N 1.72 0.32 0.00 3.86 0.00 -1.06 -2.56 119.26 121.54 1b78 h ALA 181 Ca 0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1b78 h ALA 181 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1b78 h ALA 181 CO 0.01 0.70 -0.39 0.74 0.00 0.00 0.00 179.25 180.30 1b78 h PHE 182 N 0.48 0.00 -0.15 0.00 0.04 -1.23 -1.85 116.94 114.23 1b78 h PHE 182 Ca -0.06 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.54 1b78 h PHE 182 Cb 1.45 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.59 1b78 h PHE 182 CO 0.08 0.39 -0.60 0.93 -0.60 0.00 0.00 178.31 178.52 1b78 h GLU 183 N 0.00 0.51 -0.69 1.51 4.39 -1.20 0.17 114.58 119.27 1b78 h GLU 183 Ca -0.00 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 1b78 h GLU 183 Cb 0.95 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1b78 h GLU 183 CO 0.05 0.96 0.13 0.93 -1.16 0.00 0.00 179.01 179.91 1b78 h GLU 184 N 0.38 1.13 -0.50 2.33 4.39 -1.22 -1.56 114.58 119.52 1b78 h GLU 184 Ca -0.00 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 1b78 h GLU 184 Cb 1.15 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1b78 h GLU 184 CO 0.11 1.02 -0.01 0.35 -1.16 0.00 0.00 179.01 179.32 1b78 h PHE 185 N 1.06 0.98 -0.22 4.33 -0.00 -1.04 -2.78 116.94 119.27 1b78 h PHE 185 Ca 0.21 -0.17 -0.08 0.00 -0.00 0.00 0.00 57.97 57.93 1b78 h PHE 185 Cb 0.43 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 36.11 1b78 h PHE 185 CO 0.03 0.92 -0.21 -0.22 -0.00 0.00 0.00 178.31 178.83 1b78 h LYS 186 N 0.76 0.39 -0.43 1.11 3.64 -0.48 -0.98 116.57 120.57 1b78 h LYS 186 Ca 0.14 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1b78 h LYS 186 Cb 0.53 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1b78 h LYS 186 CO 0.03 0.59 0.21 -0.22 -2.27 0.00 0.00 179.45 177.78 1b78 h LYS 187 N 0.36 0.63 -0.49 1.90 3.64 -1.17 0.26 116.57 121.69 1b78 h LYS 187 Ca 0.06 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1b78 h LYS 187 Cb 0.57 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1b78 h LYS 187 CO 0.04 0.54 0.30 0.35 -2.27 0.00 0.00 179.45 178.41 1b78 h PHE 188 N 0.56 0.65 -0.49 1.91 3.04 -1.18 -0.82 116.94 120.62 1b78 h PHE 188 Ca 0.15 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 1b78 h PHE 188 Cb 0.13 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1b78 h PHE 188 CO -0.01 0.46 0.17 -0.07 -2.02 0.00 0.00 178.31 176.84 1b78 h LEU 189 N 0.66 0.70 -1.03 0.59 3.38 -0.71 -2.20 115.31 116.71 1b78 h LEU 189 Ca 0.18 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1b78 h LEU 189 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1b78 h LEU 189 CO -0.03 0.71 -0.45 -0.07 0.09 0.00 0.00 178.44 178.68 1b78 h LEU 190 N 0.66 0.07 -1.26 1.67 3.38 -0.30 -2.45 115.31 117.09 1b78 h LEU 190 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1b78 h LEU 190 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1b78 h LEU 190 CO -0.01 0.52 0.00 0.47 0.09 0.00 0.00 178.44 179.51 1b78 n ASP 191 N -3.99 1.86 -4.25 -0.43 9.92 -0.33 -4.95 116.55 114.37 1b78 n ASP 191 Ca -0.02 -1.83 -0.34 0.00 -0.53 0.00 0.00 54.79 52.07 1b78 n ASP 191 Cb 0.49 -0.17 0.12 0.00 -0.64 0.00 0.00 41.12 40.92 1b78 n ASP 191 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1b78 n ARG 192 N 0.47 -0.75 0.00 -1.24 1.74 -0.84 -5.04 116.66 110.99 1b78 n ARG 192 Ca 0.15 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1b78 n ARG 192 Cb 0.33 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1b78 n ARG 192 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22