#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ag1 s LYS 3 N 0.00 1.20 1.17 1.43 1.02 -1.26 -5.12 119.74 118.18 1ag1 s LYS 3 Ca 0.00 -1.41 -0.17 0.00 0.02 0.00 0.00 55.97 54.40 1ag1 s LYS 3 Cb 0.00 -1.08 0.27 0.00 -0.52 0.00 0.00 37.83 36.50 1ag1 s LYS 3 CO 0.00 0.20 1.08 -1.25 -0.92 0.00 0.00 175.35 174.46 1ag1 s PRO 4 N -3.08 -0.97 0.33 -1.68 0.04 -1.26 -4.94 135.00 123.44 1ag1 s PRO 4 Ca 0.16 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.05 1ag1 s PRO 4 Cb -0.03 -1.61 -0.11 0.00 0.04 0.00 0.00 34.50 32.79 1ag1 s PRO 4 CO 0.05 -3.59 1.52 -1.14 0.04 0.00 0.00 177.00 173.89 1ag1 s GLN 5 N -5.21 4.14 0.67 4.56 0.74 -1.26 -4.98 119.66 118.32 1ag1 s GLN 5 Ca 0.69 2.54 -0.04 0.00 0.05 0.00 0.00 55.36 58.60 1ag1 s GLN 5 Cb -0.13 -3.01 0.06 0.00 1.10 0.00 0.00 33.01 31.03 1ag1 s GLN 5 CO 0.57 -0.55 0.96 -1.25 -0.55 0.00 0.00 175.29 174.46 1ag1 s PRO 6 N -1.25 2.19 -0.02 1.67 0.04 -1.26 -4.91 135.00 131.45 1ag1 s PRO 6 Ca 0.58 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1ag1 s PRO 6 Cb -0.46 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 31.84 1ag1 s PRO 6 CO 0.54 -1.15 0.02 0.42 0.04 0.00 0.00 177.00 176.87 1ag1 s ILE 7 N -3.12 0.02 -0.42 0.56 1.01 -0.95 -0.46 121.20 117.84 1ag1 s ILE 7 Ca 0.60 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1ag1 s ILE 7 Cb -0.10 -0.14 0.11 0.00 0.01 0.00 0.00 42.46 42.34 1ag1 s ILE 7 CO 0.43 0.11 0.18 0.00 0.00 0.00 0.00 174.94 175.66 1ag1 s ALA 8 N 1.04 3.13 -0.27 9.38 0.00 -0.57 -1.59 121.76 132.88 1ag1 s ALA 8 Ca -0.09 -2.70 -0.08 0.00 0.00 0.00 0.00 51.96 49.09 1ag1 s ALA 8 Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 1ag1 s ALA 8 CO -0.03 -1.82 0.10 0.00 0.00 0.00 0.00 175.76 174.01 1ag1 s ALA 9 N 0.76 3.20 -0.37 0.00 0.00 -0.58 -1.11 121.76 123.67 1ag1 s ALA 9 Ca 0.11 -1.22 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 1ag1 s ALA 9 Cb -0.21 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1ag1 s ALA 9 CO -0.05 -0.64 0.67 0.00 0.00 0.00 0.00 175.76 175.74 1ag1 s ALA 10 N 1.61 3.44 -0.50 0.00 0.00 0.44 -0.50 121.76 126.24 1ag1 s ALA 10 Ca 0.06 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 1ag1 s ALA 10 Cb -0.16 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1ag1 s ALA 10 CO 0.05 -1.42 0.43 1.21 0.00 0.00 0.00 175.76 176.02 1ag1 s ASN 11 N 1.83 6.04 0.00 0.00 3.84 -0.35 -0.22 114.94 126.08 1ag1 s ASN 11 Ca 0.26 -1.69 0.23 0.00 0.21 0.00 0.00 52.86 51.86 1ag1 s ASN 11 Cb -0.14 -2.15 0.97 0.00 -0.55 0.00 0.00 41.25 39.38 1ag1 s ASN 11 CO 0.16 -0.76 1.72 0.79 -2.79 0.00 0.00 177.10 176.23 1ag1 n TRP 12 N 5.15 0.00 -3.00 0.43 8.01 -0.78 -4.37 117.44 122.89 1ag1 n TRP 12 Ca -0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.07 1ag1 n TRP 12 Cb 0.41 -0.49 0.00 0.00 -2.01 0.00 0.00 31.31 29.22 1ag1 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ag1 n LYS 13 N -1.49 0.00 -1.83 -0.99 5.02 -1.26 -3.09 118.16 114.52 1ag1 n LYS 13 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 1ag1 n LYS 13 Cb 0.26 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.26 1ag1 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ag1 s ASN 15 N 0.95 0.14 0.00 0.00 0.01 -1.18 -5.13 114.94 109.73 1ag1 s ASN 15 Ca 0.57 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 1ag1 s ASN 15 Cb 0.18 0.39 0.00 0.00 0.41 0.00 0.00 41.25 42.23 1ag1 s ASN 15 CO -0.08 -0.86 0.00 0.61 -1.51 0.00 0.00 177.10 175.26 1ag1 n GLY 16 N -0.24 3.49 3.14 0.66 0.00 -1.26 -4.72 105.19 106.26 1ag1 n GLY 16 Ca -0.01 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 1ag1 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ag1 s SER 17 N 0.00 1.44 0.33 1.61 1.04 -1.26 -4.99 113.70 111.87 1ag1 s SER 17 Ca 0.00 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 55.93 1ag1 s SER 17 Cb 0.00 -0.02 0.86 0.00 0.10 0.00 0.00 66.02 66.96 1ag1 s SER 17 CO 0.00 -0.11 1.76 1.56 0.98 0.00 0.00 173.24 177.43 1ag1 h GLN 18 N 4.34 0.61 0.60 4.02 4.20 -1.99 0.17 115.11 127.06 1ag1 h GLN 18 Ca -0.39 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.25 1ag1 h GLN 18 Cb 1.19 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.84 1ag1 h GLN 18 CO 0.40 0.41 -0.29 0.37 -0.67 0.00 0.00 178.83 179.05 1ag1 h GLN 19 N 0.63 -0.77 -0.55 1.46 -0.00 -1.99 -2.19 115.11 111.70 1ag1 h GLN 19 Ca 0.60 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 59.29 1ag1 h GLN 19 Cb 1.11 0.18 -0.03 0.00 0.00 0.00 0.00 27.48 28.74 1ag1 h GLN 19 CO -0.39 -0.47 0.30 0.66 0.00 0.00 0.00 178.83 178.93 1ag1 h SER 20 N -1.12 0.68 -0.49 -0.69 4.64 -1.92 -2.74 113.55 111.90 1ag1 h SER 20 Ca -0.08 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1ag1 h SER 20 Cb 0.66 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1ag1 h SER 20 CO 0.13 0.58 0.27 -0.07 -0.87 0.00 0.00 176.83 176.87 1ag1 h LEU 21 N 0.74 0.42 -2.34 5.97 3.38 -1.03 -2.24 115.31 120.22 1ag1 h LEU 21 Ca 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ag1 h LEU 21 Cb 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ag1 h LEU 21 CO -0.03 0.30 -0.00 0.28 0.09 0.00 0.00 178.44 179.07 1ag1 h SER 22 N 0.54 0.00 0.33 -0.43 0.02 -1.23 -1.07 113.55 111.71 1ag1 h SER 22 Ca 0.21 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.87 1ag1 h SER 22 Cb 0.07 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.62 1ag1 h SER 22 CO -0.12 0.00 -1.21 -0.33 -1.14 0.00 0.00 176.83 174.03 1ag1 h GLU 23 N 0.00 0.47 -0.54 3.45 5.08 -1.12 -2.60 114.58 119.33 1ag1 h GLU 23 Ca -0.00 -0.66 -0.09 0.00 -1.00 0.00 0.00 59.36 57.61 1ag1 h GLU 23 Cb 0.00 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1ag1 h GLU 23 CO 0.00 1.28 -0.00 -0.07 -1.00 0.00 0.00 179.01 179.22 1ag1 h LEU 24 N 0.19 0.93 -0.20 1.33 3.38 -1.02 -1.85 115.31 118.08 1ag1 h LEU 24 Ca -0.16 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1ag1 h LEU 24 Cb 1.89 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.35 1ag1 h LEU 24 CO 0.22 1.01 -0.08 0.40 0.09 0.00 0.00 178.44 180.08 1ag1 h ILE 25 N 0.82 0.72 0.02 1.22 1.08 -1.29 0.38 117.51 120.46 1ag1 h ILE 25 Ca 0.15 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 1ag1 h ILE 25 Cb 0.54 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.96 1ag1 h ILE 25 CO 0.03 0.00 -0.34 0.44 -0.69 0.00 0.00 178.15 177.59 1ag1 h ASP 26 N -0.06 -1.02 -0.20 1.72 3.32 -1.03 -0.12 116.42 119.04 1ag1 h ASP 26 Ca 0.10 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.34 1ag1 h ASP 26 Cb 0.21 0.40 -0.07 0.00 0.22 0.00 0.00 39.33 40.09 1ag1 h ASP 26 CO -0.23 -0.40 -0.38 0.25 -1.72 0.00 0.00 179.24 176.75 1ag1 h LEU 27 N -0.50 -1.21 -1.15 1.55 6.46 -1.02 -1.37 115.31 118.07 1ag1 h LEU 27 Ca 0.05 0.17 0.18 0.00 -0.12 0.00 0.00 57.88 58.17 1ag1 h LEU 27 Cb 0.58 0.51 -0.09 0.00 -0.73 0.00 0.00 40.66 40.93 1ag1 h LEU 27 CO -0.27 -0.39 0.61 -0.26 -0.62 0.00 0.00 178.44 177.52 1ag1 h PHE 28 N -0.41 0.93 0.00 1.25 0.04 0.98 -1.25 116.94 118.48 1ag1 h PHE 28 Ca 0.10 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 1ag1 h PHE 28 Cb 0.59 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1ag1 h PHE 28 CO -0.49 0.24 -0.44 -0.91 -0.60 0.00 0.00 178.31 176.11 1ag1 h ASN 29 N 0.70 0.00 0.10 2.17 2.35 -0.01 -2.62 115.58 118.26 1ag1 h ASN 29 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 1ag1 h ASN 29 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1ag1 h ASN 29 CO -0.31 0.44 -0.01 -1.20 -1.65 0.00 0.00 177.43 174.70 1ag1 n SER 30 N -3.70 0.26 -4.74 5.81 7.64 -0.48 -4.80 113.62 113.60 1ag1 n SER 30 Ca -0.01 -0.93 -0.40 0.00 1.01 0.00 0.00 58.87 58.54 1ag1 n SER 30 Cb 0.52 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 1ag1 n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ag1 s THR 31 N -2.11 4.82 -0.43 0.44 2.01 -0.99 -5.02 115.64 114.36 1ag1 s THR 31 Ca 0.43 1.54 -0.20 0.00 0.31 0.00 0.00 61.69 63.76 1ag1 s THR 31 Cb 0.21 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1ag1 s THR 31 CO 0.39 0.35 0.63 -0.55 -0.69 0.00 0.00 174.62 174.74 1ag1 s SER 32 N 0.10 6.32 -0.18 3.53 0.15 -1.26 -5.03 113.70 117.33 1ag1 s SER 32 Ca 0.37 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1ag1 s SER 32 Cb -0.20 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1ag1 s SER 32 CO 0.21 -0.76 -0.17 -0.63 1.20 0.00 0.00 173.24 173.09 1ag1 s ILE 33 N 2.76 2.30 -2.30 6.45 1.01 -1.26 -4.99 121.20 125.17 1ag1 s ILE 33 Ca 0.22 -0.86 0.19 0.00 0.00 0.00 0.00 60.65 60.19 1ag1 s ILE 33 Cb -0.14 -1.98 0.16 0.00 0.01 0.00 0.00 42.46 40.51 1ag1 s ILE 33 CO 0.18 0.52 1.10 0.59 0.00 0.00 0.00 174.94 177.33 1ag1 n ASN 34 N 4.61 2.58 -4.80 3.58 5.03 -1.26 -4.99 115.26 120.00 1ag1 n ASN 34 Ca -0.20 -1.78 -0.27 0.00 0.87 0.00 0.00 54.58 53.20 1ag1 n ASN 34 Cb 0.50 -0.01 -0.05 0.00 -1.02 0.00 0.00 39.78 39.20 1ag1 n ASN 34 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1ag1 s HIS 35 N -1.53 2.13 -0.70 3.10 -3.43 -1.26 -5.03 115.29 108.57 1ag1 s HIS 35 Ca 0.22 -0.75 -0.26 0.00 -0.80 0.00 0.00 55.06 53.48 1ag1 s HIS 35 Cb 0.16 -1.88 0.04 0.00 -1.43 0.00 0.00 32.58 29.47 1ag1 s HIS 35 CO 0.23 -0.03 1.19 0.34 -2.00 0.00 0.00 174.74 174.47 1ag1 s ASP 36 N -4.03 6.19 0.01 7.38 2.15 -1.26 -4.95 116.67 122.16 1ag1 s ASP 36 Ca 0.32 -0.54 -0.01 0.00 0.43 0.00 0.00 52.55 52.74 1ag1 s ASP 36 Cb 0.01 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1ag1 s ASP 36 CO 0.18 -1.70 0.00 0.54 -0.17 0.00 0.00 175.17 174.03 1ag1 s VAL 37 N 5.23 0.08 -0.34 1.11 0.11 -1.26 -4.11 120.40 121.22 1ag1 s VAL 37 Ca 0.32 -0.69 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 1ag1 s VAL 37 Cb -0.10 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1ag1 s VAL 37 CO 0.15 -0.38 0.17 -1.58 -3.33 0.00 0.00 175.10 170.12 1ag1 s GLN 38 N -1.15 2.97 -0.16 1.54 2.00 0.39 -4.92 119.66 120.34 1ag1 s GLN 38 Ca -0.13 -0.97 -0.13 0.00 -2.00 0.00 0.00 55.36 52.14 1ag1 s GLN 38 Cb -0.08 -3.62 -0.05 0.00 0.80 0.00 0.00 33.01 30.07 1ag1 s GLN 38 CO -0.00 -0.59 0.26 0.00 -0.50 0.00 0.00 175.29 174.46 1ag1 s VAL 40 N 0.38 1.78 -0.27 0.00 1.01 -0.27 -1.19 120.40 121.84 1ag1 s VAL 40 Ca 0.15 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1ag1 s VAL 40 Cb -0.13 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1ag1 s VAL 40 CO 0.03 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.85 1ag1 s VAL 41 N -0.27 2.30 -0.63 2.92 1.01 -0.28 -0.42 120.40 125.02 1ag1 s VAL 41 Ca 0.02 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.20 1ag1 s VAL 41 Cb -0.11 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.04 1ag1 s VAL 41 CO 0.01 -0.05 0.71 0.00 0.00 0.00 0.00 175.10 175.77 1ag1 s ALA 42 N 1.12 3.52 0.42 5.51 0.00 0.69 -1.72 121.76 131.30 1ag1 s ALA 42 Ca -0.08 -2.44 0.08 0.00 0.00 0.00 0.00 51.96 49.52 1ag1 s ALA 42 Cb -0.20 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1ag1 s ALA 42 CO -0.04 -2.34 0.52 -1.54 0.00 0.00 0.00 175.76 172.36 1ag1 s SER 43 N 3.47 5.49 0.92 0.00 1.04 -1.19 -1.86 113.70 121.57 1ag1 s SER 43 Ca 0.12 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1ag1 s SER 43 Cb -0.22 -0.62 0.14 0.00 0.10 0.00 0.00 66.02 65.43 1ag1 s SER 43 CO 0.03 -0.75 1.11 0.42 0.98 0.00 0.00 173.24 175.03 1ag1 s THR 44 N -2.39 2.43 0.24 2.02 -4.23 -1.26 -4.15 115.64 108.31 1ag1 s THR 44 Ca 0.53 0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1ag1 s THR 44 Cb -0.08 -2.34 0.21 0.00 1.34 0.00 0.00 72.50 71.63 1ag1 s THR 44 CO 0.32 -0.18 1.82 -0.26 -0.54 0.00 0.00 174.62 175.78 1ag1 h PHE 45 N -1.77 0.89 -0.83 3.99 0.04 -1.96 -1.73 116.94 115.58 1ag1 h PHE 45 Ca -0.47 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.41 1ag1 h PHE 45 Cb 1.27 -0.28 -0.06 0.00 2.20 0.00 0.00 35.95 39.09 1ag1 h PHE 45 CO 0.47 0.40 0.54 0.28 -0.60 0.00 0.00 178.31 179.41 1ag1 h VAL 46 N 0.85 1.01 -0.09 -0.55 2.07 -2.03 -2.74 116.25 114.77 1ag1 h VAL 46 Ca 0.38 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1ag1 h VAL 46 Cb 0.28 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1ag1 h VAL 46 CO -0.22 0.16 0.00 1.41 0.02 0.00 0.00 177.57 178.94 1ag1 n HIS 47 N -4.50 0.10 -0.24 1.57 8.25 -0.67 -4.48 115.22 115.25 1ag1 n HIS 47 Ca 0.13 -0.05 0.02 0.00 -0.26 0.00 0.00 57.72 57.57 1ag1 n HIS 47 Cb 0.25 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.51 1ag1 n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ag1 h LEU 48 N 2.97 0.34 0.67 2.41 3.38 -1.29 -0.86 115.31 122.93 1ag1 h LEU 48 Ca 0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ag1 h LEU 48 Cb 0.64 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ag1 h LEU 48 CO 0.00 0.18 -0.34 0.00 0.09 0.00 0.00 178.44 178.37 1ag1 h ALA 49 N 1.47 -0.93 -0.98 1.53 0.00 -1.82 0.19 119.26 118.72 1ag1 h ALA 49 Ca 0.36 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1ag1 h ALA 49 Cb 0.46 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1ag1 h ALA 49 CO -0.32 -1.03 0.62 1.98 0.00 0.00 0.00 179.25 180.50 1ag1 h MET 50 N -0.92 0.98 0.04 0.00 1.85 -1.84 -0.27 114.93 114.77 1ag1 h MET 50 Ca -0.09 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1ag1 h MET 50 Cb 0.72 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.53 1ag1 h MET 50 CO 0.13 0.65 -0.02 1.15 -0.40 0.00 0.00 176.91 178.42 1ag1 h THR 51 N 1.01 1.07 -0.02 -0.77 2.02 -0.74 -1.91 112.91 113.57 1ag1 h THR 51 Ca 0.46 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1ag1 h THR 51 Cb 0.40 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1ag1 h THR 51 CO -0.22 0.09 -0.24 0.11 0.37 0.00 0.00 175.52 175.63 1ag1 h LYS 52 N -0.22 -0.36 -0.14 6.66 1.57 0.07 -1.09 116.57 123.06 1ag1 h LYS 52 Ca -0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1ag1 h LYS 52 Cb 0.20 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1ag1 h LYS 52 CO 0.01 -0.24 -0.07 1.49 -0.57 0.00 0.00 179.45 180.08 1ag1 h GLU 53 N -0.37 -0.05 0.15 3.15 4.57 -1.02 -3.34 114.58 117.67 1ag1 h GLU 53 Ca 0.07 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.94 1ag1 h GLU 53 Cb 0.46 0.01 0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1ag1 h GLU 53 CO -0.23 -0.03 -1.29 -0.09 -1.18 0.00 0.00 179.01 176.19 1ag1 h ARG 54 N -0.05 0.62 -6.39 1.92 2.43 -1.21 -3.45 114.38 108.25 1ag1 h ARG 54 Ca 0.08 -0.86 -0.54 0.00 -0.81 0.00 0.00 59.98 57.85 1ag1 h ARG 54 Cb 0.17 0.29 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1ag1 h ARG 54 CO -0.18 1.40 1.03 -0.51 -1.51 0.00 0.00 179.97 180.20 1ag1 s LEU 55 N -7.83 4.36 0.00 3.80 1.43 -0.42 -4.84 118.68 115.18 1ag1 s LEU 55 Ca -0.09 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1ag1 s LEU 55 Cb 0.05 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 1ag1 s LEU 55 CO 0.94 -0.90 0.15 -1.54 0.23 0.00 0.00 176.35 175.23 1ag1 n SER 56 N 6.16 0.30 -4.65 2.29 3.41 -1.26 -4.95 113.62 114.92 1ag1 n SER 56 Ca 0.16 -0.65 -0.47 0.00 -0.26 0.00 0.00 58.87 57.65 1ag1 n SER 56 Cb 0.41 0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 65.03 1ag1 n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ag1 n HIS 57 N -0.71 2.11 0.28 7.33 -0.00 -1.26 -4.84 115.22 118.12 1ag1 n HIS 57 Ca 0.00 0.36 0.13 0.00 -0.00 0.00 0.00 57.72 58.21 1ag1 n HIS 57 Cb 0.01 -2.49 0.79 0.00 -0.00 0.00 0.00 29.99 28.30 1ag1 n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ag1 h PRO 58 N 5.49 0.00 -0.06 1.57 0.11 -1.96 -2.77 132.00 134.37 1ag1 h PRO 58 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ag1 h PRO 58 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ag1 h PRO 58 CO 0.85 0.07 0.00 1.63 -0.21 0.00 0.00 178.00 180.34 1ag1 n LYS 59 N -3.82 1.46 -4.17 1.05 5.02 -1.26 -4.93 118.16 111.51 1ag1 n LYS 59 Ca -0.02 -0.69 -0.30 0.00 -2.02 0.00 0.00 58.31 55.28 1ag1 n LYS 59 Cb 0.16 -1.42 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 1ag1 n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ag1 s PHE 60 N -1.92 2.92 0.04 2.13 0.40 -1.05 -1.31 117.98 119.19 1ag1 s PHE 60 Ca 0.36 -0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1ag1 s PHE 60 Cb 0.18 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 1ag1 s PHE 60 CO 0.29 0.46 -0.00 0.14 0.70 0.00 0.00 175.22 176.81 1ag1 s VAL 61 N -1.27 0.18 0.16 -0.44 -7.23 -0.33 -4.94 120.40 106.52 1ag1 s VAL 61 Ca 0.24 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1ag1 s VAL 61 Cb -0.11 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 1ag1 s VAL 61 CO 0.16 -0.82 0.17 0.27 -0.31 0.00 0.00 175.10 174.58 1ag1 s ILE 62 N -3.19 4.68 0.20 -0.62 -4.36 -1.26 -1.13 121.20 115.52 1ag1 s ILE 62 Ca 0.00 -0.98 -0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1ag1 s ILE 62 Cb 0.03 -3.39 -0.04 0.00 1.25 0.00 0.00 42.46 40.31 1ag1 s ILE 62 CO -0.07 -0.10 0.15 0.00 0.24 0.00 0.00 174.94 175.16 1ag1 s ALA 63 N -1.74 1.07 0.28 2.27 0.00 -0.70 -3.83 121.76 119.11 1ag1 s ALA 63 Ca 0.32 -1.64 0.10 0.00 0.00 0.00 0.00 51.96 50.73 1ag1 s ALA 63 Cb -0.10 1.35 -0.05 0.00 0.00 0.00 0.00 23.12 24.32 1ag1 s ALA 63 CO 0.24 -0.60 -0.04 0.00 0.00 0.00 0.00 175.76 175.36 1ag1 s ALA 64 N -4.15 3.09 -1.25 0.00 0.00 -0.99 -3.19 121.76 115.26 1ag1 s ALA 64 Ca 0.37 -1.73 0.28 0.00 0.00 0.00 0.00 51.96 50.88 1ag1 s ALA 64 Cb 0.07 -0.63 1.09 0.00 0.00 0.00 0.00 23.12 23.64 1ag1 s ALA 64 CO 0.11 0.25 1.80 1.04 0.00 0.00 0.00 175.76 178.96 1ag1 n GLN 65 N -0.85 0.27 0.00 0.00 6.02 -1.26 -1.51 117.38 120.04 1ag1 n GLN 65 Ca -0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1ag1 n GLN 65 Cb 0.60 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1ag1 n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ag1 n ASN 66 N -1.30 0.00 -3.58 1.08 5.15 -1.24 -4.65 115.26 110.72 1ag1 n ASN 66 Ca 0.10 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.03 1ag1 n ASN 66 Cb 0.31 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.54 1ag1 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ag1 s ALA 67 N -2.00 -1.97 0.22 5.20 0.00 -1.26 -4.94 121.76 117.00 1ag1 s ALA 67 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1ag1 s ALA 67 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1ag1 s ALA 67 CO 0.00 -0.73 0.13 0.96 0.00 0.00 0.00 175.76 176.12 1ag1 s ILE 68 N -2.73 4.26 0.22 0.00 -4.36 -0.36 -4.96 121.20 113.27 1ag1 s ILE 68 Ca 0.09 -1.36 -0.02 0.00 -0.26 0.00 0.00 60.65 59.10 1ag1 s ILE 68 Cb -0.00 -3.24 -0.00 0.00 1.25 0.00 0.00 42.46 40.46 1ag1 s ILE 68 CO -0.05 -0.24 1.59 0.00 0.24 0.00 0.00 174.94 176.47 1ag1 h ALA 69 N 1.98 0.84 -3.01 2.27 0.00 -1.92 -1.97 119.26 117.45 1ag1 h ALA 69 Ca -0.48 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 53.77 1ag1 h ALA 69 Cb 1.22 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.70 1ag1 h ALA 69 CO 0.61 0.65 -0.72 0.15 0.00 0.00 0.00 179.25 179.94 1ag1 s LYS 70 N -4.26 0.47 0.84 0.00 -0.14 -1.26 -4.32 119.74 111.07 1ag1 s LYS 70 Ca -0.08 -0.76 -0.10 0.00 -1.36 0.00 0.00 55.97 53.67 1ag1 s LYS 70 Cb 0.12 -0.12 0.10 0.00 -1.68 0.00 0.00 37.83 36.25 1ag1 s LYS 70 CO 0.83 0.00 1.11 -1.12 -0.76 0.00 0.00 175.35 175.41 1ag1 s SER 71 N -1.68 3.76 0.00 2.83 0.01 -1.26 -4.80 113.70 112.56 1ag1 s SER 71 Ca -0.10 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1ag1 s SER 71 Cb -0.08 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1ag1 s SER 71 CO -0.01 -2.53 0.00 0.61 0.41 0.00 0.00 173.24 171.73 1ag1 n GLY 72 N -0.64 0.77 3.17 3.44 0.00 -1.26 -4.98 105.19 105.68 1ag1 n GLY 72 Ca 0.10 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1ag1 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ag1 n ALA 73 N -0.87 4.05 -3.23 4.61 0.00 -1.26 -4.66 120.51 119.14 1ag1 n ALA 73 Ca 0.00 -3.66 -0.24 0.00 0.00 0.00 0.00 53.44 49.54 1ag1 n ALA 73 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 15.81 1ag1 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ag1 n PHE 74 N 8.14 -0.76 -1.64 0.00 3.72 -1.26 -5.12 117.46 120.54 1ag1 n PHE 74 Ca 0.50 -3.35 -0.45 0.00 -0.05 0.00 0.00 57.45 54.09 1ag1 n PHE 74 Cb 0.42 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1ag1 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ag1 n THR 75 N 1.93 1.43 0.00 4.37 -1.04 -1.26 -1.70 114.28 118.01 1ag1 n THR 75 Ca 0.23 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1ag1 n THR 75 Cb 0.52 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1ag1 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ag1 n GLY 76 N 1.59 2.80 3.86 3.41 0.00 -1.26 -5.02 105.19 110.57 1ag1 n GLY 76 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1ag1 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ag1 s GLU 77 N -0.07 3.37 -0.05 1.61 0.41 -0.69 -5.12 118.70 118.17 1ag1 s GLU 77 Ca 0.00 0.73 -0.01 0.00 -0.41 0.00 0.00 54.97 55.29 1ag1 s GLU 77 Cb 0.00 -2.06 0.03 0.00 -1.78 0.00 0.00 34.13 30.32 1ag1 s GLU 77 CO 0.00 -0.74 0.02 0.08 -0.49 0.00 0.00 175.26 174.13 1ag1 s VAL 78 N -3.19 0.17 0.42 2.63 1.01 -1.26 -5.00 120.40 115.19 1ag1 s VAL 78 Ca 0.56 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1ag1 s VAL 78 Cb -0.12 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1ag1 s VAL 78 CO 0.54 0.19 0.59 -0.94 0.00 0.00 0.00 175.10 175.48 1ag1 s SER 79 N 1.64 5.72 0.19 3.32 1.04 -1.26 -1.22 113.70 123.12 1ag1 s SER 79 Ca -0.01 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.13 1ag1 s SER 79 Cb -0.13 -1.01 0.19 0.00 0.10 0.00 0.00 66.02 65.18 1ag1 s SER 79 CO -0.03 -0.71 1.75 -0.07 0.98 0.00 0.00 173.24 175.15 1ag1 h LEU 80 N 0.58 0.19 -0.57 2.42 3.38 -1.54 -1.99 115.31 117.78 1ag1 h LEU 80 Ca -0.43 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1ag1 h LEU 80 Cb 1.27 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1ag1 h LEU 80 CO 0.51 0.13 0.37 -0.65 0.09 0.00 0.00 178.44 178.89 1ag1 h PRO 81 N 0.37 0.73 -0.74 1.13 0.11 -1.88 0.76 132.00 132.48 1ag1 h PRO 81 Ca 0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1ag1 h PRO 81 Cb 0.28 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 1ag1 h PRO 81 CO -0.26 0.48 0.47 0.82 -0.21 0.00 0.00 178.00 179.31 1ag1 h ILE 82 N 0.75 1.20 -0.19 4.15 2.04 -1.89 0.34 117.51 123.91 1ag1 h ILE 82 Ca 0.22 -0.40 -0.21 0.00 1.00 0.00 0.00 64.86 65.47 1ag1 h ILE 82 Cb -0.06 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1ag1 h ILE 82 CO -0.06 0.20 -0.69 -0.07 0.00 0.00 0.00 178.15 177.52 1ag1 h LEU 83 N 1.01 0.94 -0.40 1.44 3.38 -0.86 -2.68 115.31 118.14 1ag1 h LEU 83 Ca 0.27 -0.60 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1ag1 h LEU 83 Cb -0.08 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.33 1ag1 h LEU 83 CO -0.05 1.38 0.03 0.50 0.09 0.00 0.00 178.44 180.38 1ag1 h LYS 84 N 0.55 0.13 -0.06 1.13 3.64 0.10 -0.92 116.57 121.14 1ag1 h LYS 84 Ca -0.03 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1ag1 h LYS 84 Cb 1.32 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1ag1 h LYS 84 CO 0.15 0.09 -0.21 0.22 -2.27 0.00 0.00 179.45 177.42 1ag1 h ASP 85 N 0.14 0.09 0.58 4.20 3.58 -0.93 -2.19 116.42 121.88 1ag1 h ASP 85 Ca 0.19 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1ag1 h ASP 85 Cb 0.26 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1ag1 h ASP 85 CO -0.30 0.31 0.00 0.33 -2.88 0.00 0.00 179.24 176.70 1ag1 n PHE 86 N -4.25 0.00 -0.58 0.28 7.35 -0.43 -4.88 117.46 114.94 1ag1 n PHE 86 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1ag1 n PHE 86 Cb 0.29 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 39.81 1ag1 n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ag1 n GLY 87 N 1.11 0.65 3.69 7.13 0.00 -0.74 -5.05 105.19 111.98 1ag1 n GLY 87 Ca 0.12 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1ag1 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ag1 s VAL 88 N -2.00 5.29 0.00 1.61 1.01 -0.70 -4.95 120.40 120.65 1ag1 s VAL 88 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1ag1 s VAL 88 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ag1 s VAL 88 CO 0.00 0.34 0.45 -3.20 0.00 0.00 0.00 175.10 172.68 1ag1 n ASN 89 N 4.04 0.89 -4.37 3.32 4.05 -1.26 -4.21 115.26 117.72 1ag1 n ASN 89 Ca -0.12 -0.95 -0.30 0.00 0.45 0.00 0.00 54.58 53.67 1ag1 n ASN 89 Cb 0.52 0.10 -0.14 0.00 1.23 0.00 0.00 39.78 41.49 1ag1 n ASN 89 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1ag1 s TRP 90 N -0.10 2.31 -0.04 1.20 0.52 -1.25 0.99 118.94 122.56 1ag1 s TRP 90 Ca 0.00 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.65 1ag1 s TRP 90 Cb 0.00 -1.32 0.01 0.00 -1.15 0.00 0.00 33.47 31.01 1ag1 s TRP 90 CO 0.00 0.23 0.17 -1.50 0.02 0.00 0.00 176.95 175.87 1ag1 s ILE 91 N -0.93 0.03 -0.16 2.03 1.10 -0.77 -2.36 121.20 120.14 1ag1 s ILE 91 Ca 0.13 -0.28 -0.09 0.00 -0.51 0.00 0.00 60.65 59.90 1ag1 s ILE 91 Cb -0.10 -0.34 -0.05 0.00 0.15 0.00 0.00 42.46 42.12 1ag1 s ILE 91 CO 0.04 -0.15 0.15 -0.69 -2.11 0.00 0.00 174.94 172.18 1ag1 s VAL 92 N -0.52 5.43 0.03 4.00 1.01 -0.57 -0.42 120.40 129.37 1ag1 s VAL 92 Ca -0.06 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1ag1 s VAL 92 Cb -0.04 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1ag1 s VAL 92 CO 0.01 0.51 -0.05 -0.76 0.00 0.00 0.00 175.10 174.80 1ag1 s LEU 93 N -0.17 2.26 -0.69 3.92 1.43 0.11 -3.73 118.68 121.81 1ag1 s LEU 93 Ca 0.11 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ag1 s LEU 93 Cb -0.12 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1ag1 s LEU 93 CO 0.01 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1ag1 n GLY 94 N 1.49 0.87 3.67 -3.19 0.00 -1.26 -1.74 105.19 105.02 1ag1 n GLY 94 Ca -0.23 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 1ag1 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ag1 n HIS 95 N -2.83 2.12 -0.28 1.61 -0.00 -1.26 -4.46 115.22 110.12 1ag1 n HIS 95 Ca -0.06 0.47 0.26 0.00 0.46 0.00 0.00 57.72 58.85 1ag1 n HIS 95 Cb 0.22 -2.44 0.61 0.00 -0.12 0.00 0.00 29.99 28.25 1ag1 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1ag1 h SER 96 N 3.85 0.25 1.14 0.26 4.64 -1.94 0.59 113.55 122.35 1ag1 h SER 96 Ca -0.45 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ag1 h SER 96 Cb 1.28 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ag1 h SER 96 CO 0.73 0.06 0.00 -0.33 -0.87 0.00 0.00 176.83 176.42 1ag1 h GLU 97 N 0.23 0.00 0.19 4.77 5.08 -2.00 -2.45 114.58 120.40 1ag1 h GLU 97 Ca 0.54 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.55 1ag1 h GLU 97 Cb 1.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.93 1ag1 h GLU 97 CO -0.16 0.00 -1.69 0.00 -1.00 0.00 0.00 179.01 176.16 1ag1 h ARG 98 N 0.00 0.41 -0.06 2.33 3.08 -0.20 -2.79 114.38 117.15 1ag1 h ARG 98 Ca 0.00 -0.70 -0.11 0.00 0.07 0.00 0.00 59.98 59.23 1ag1 h ARG 98 Cb 0.57 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1ag1 h ARG 98 CO 0.00 1.33 -0.48 0.00 -1.07 0.00 0.00 179.97 179.75 1ag1 h ARG 99 N 0.11 0.15 0.03 0.04 3.08 -1.24 0.51 114.38 117.06 1ag1 h ARG 99 Ca -0.32 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 1ag1 h ARG 99 Cb 2.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.16 1ag1 h ARG 99 CO 0.19 0.60 -0.01 0.00 -1.07 0.00 0.00 179.97 179.68 1ag1 h ALA 100 N 1.39 -0.04 -0.02 0.04 0.00 -1.54 -3.37 119.26 115.73 1ag1 h ALA 100 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ag1 h ALA 100 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ag1 h ALA 100 CO 0.07 -0.06 -0.20 0.66 0.00 0.00 0.00 179.25 179.71 1ag1 n TYR 101 N -4.71 0.00 -2.01 0.00 4.01 -1.05 -4.62 117.16 108.78 1ag1 n TYR 101 Ca -0.07 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.72 1ag1 n TYR 101 Cb 0.33 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.46 1ag1 n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ag1 n TYR 102 N 0.34 0.00 -1.21 -0.72 4.01 0.15 -4.99 117.16 114.74 1ag1 n TYR 102 Ca 0.08 -0.93 -0.07 0.00 -0.16 0.00 0.00 57.90 56.82 1ag1 n TYR 102 Cb 0.39 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 1ag1 n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ag1 n GLY 103 N -0.33 0.83 3.56 2.72 0.00 -1.19 -4.89 105.19 105.88 1ag1 n GLY 103 Ca 0.12 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1ag1 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ag1 s GLU 104 N -2.32 2.92 0.64 1.61 2.02 -1.10 -4.97 118.70 117.50 1ag1 s GLU 104 Ca 0.00 0.34 -0.11 0.00 0.02 0.00 0.00 54.97 55.22 1ag1 s GLU 104 Cb 0.00 -4.28 0.15 0.00 0.10 0.00 0.00 34.13 30.10 1ag1 s GLU 104 CO 0.00 -2.41 0.84 0.25 0.02 0.00 0.00 175.26 173.96 1ag1 n THR 105 N 6.90 0.00 -0.00 3.63 -2.24 -1.26 -4.44 114.28 116.87 1ag1 n THR 105 Ca 0.14 -0.59 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1ag1 n THR 105 Cb 0.51 -1.64 0.14 0.00 -2.10 0.00 0.00 70.33 67.23 1ag1 n THR 105 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ag1 h ASN 106 N -1.21 0.56 -0.21 3.42 2.35 -1.98 -2.74 115.58 115.78 1ag1 h ASN 106 Ca -0.27 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.12 1ag1 h ASN 106 Cb 0.76 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1ag1 h ASN 106 CO 0.19 0.87 -0.31 1.05 -1.65 0.00 0.00 177.43 177.58 1ag1 h GLU 107 N 0.46 0.71 -0.20 0.81 9.09 -1.95 -1.30 114.58 122.20 1ag1 h GLU 107 Ca 0.05 -0.32 -0.07 0.00 0.05 0.00 0.00 59.36 59.07 1ag1 h GLU 107 Cb 0.82 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1ag1 h GLU 107 CO 0.07 0.92 -0.13 0.82 0.05 0.00 0.00 179.01 180.74 1ag1 h ILE 108 N 0.60 1.32 -0.36 -1.06 2.04 -1.87 -1.82 117.51 116.35 1ag1 h ILE 108 Ca 0.07 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 1ag1 h ILE 108 Cb 0.82 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1ag1 h ILE 108 CO 0.07 0.37 0.22 0.58 0.00 0.00 0.00 178.15 179.40 1ag1 h VAL 109 N 0.12 1.11 -0.66 1.67 2.07 -1.50 -1.60 116.25 117.46 1ag1 h VAL 109 Ca 0.04 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1ag1 h VAL 109 Cb 0.64 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1ag1 h VAL 109 CO 0.04 0.11 0.33 0.00 0.02 0.00 0.00 177.57 178.07 1ag1 h ALA 110 N 1.10 0.85 -0.26 1.67 0.00 -1.17 0.48 119.26 121.93 1ag1 h ALA 110 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ag1 h ALA 110 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ag1 h ALA 110 CO -0.03 0.40 -0.20 -0.44 0.00 0.00 0.00 179.25 178.99 1ag1 h ASP 111 N 0.91 0.47 -0.65 0.00 3.32 -1.12 -0.37 116.42 118.99 1ag1 h ASP 111 Ca 0.23 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1ag1 h ASP 111 Cb 0.10 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1ag1 h ASP 111 CO -0.03 0.69 0.16 0.11 -1.72 0.00 0.00 179.24 178.45 1ag1 h LYS 112 N 0.43 1.03 -0.01 3.56 1.57 -0.82 -0.42 116.57 121.92 1ag1 h LYS 112 Ca 0.07 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1ag1 h LYS 112 Cb 0.59 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1ag1 h LYS 112 CO 0.04 0.93 0.00 0.28 -0.57 0.00 0.00 179.45 180.13 1ag1 h VAL 113 N 0.96 1.16 -0.70 0.50 2.07 -0.55 -2.49 116.25 117.20 1ag1 h VAL 113 Ca 0.20 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1ag1 h VAL 113 Cb 0.36 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1ag1 h VAL 113 CO 0.00 0.13 0.40 0.00 0.02 0.00 0.00 177.57 178.12 1ag1 h ALA 114 N 0.80 0.93 -0.44 1.67 0.00 -0.86 -1.51 119.26 119.85 1ag1 h ALA 114 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ag1 h ALA 114 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ag1 h ALA 114 CO -0.00 0.10 0.26 0.00 0.00 0.00 0.00 179.25 179.61 1ag1 h ALA 115 N 1.35 0.57 0.22 0.00 0.00 -0.95 -0.35 119.26 120.09 1ag1 h ALA 115 Ca 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ag1 h ALA 115 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ag1 h ALA 115 CO -0.17 0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.04 1ag1 h ALA 116 N 1.11 -0.30 -0.32 0.00 0.00 -1.20 0.40 119.26 118.95 1ag1 h ALA 116 Ca 0.16 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ag1 h ALA 116 Cb 0.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1ag1 h ALA 116 CO -0.03 -0.66 -0.03 0.28 0.00 0.00 0.00 179.25 178.81 1ag1 h VAL 117 N -0.30 0.73 -0.94 0.00 2.07 -1.14 0.29 116.25 116.97 1ag1 h VAL 117 Ca -0.03 -0.02 0.24 0.00 0.82 0.00 0.00 66.70 67.71 1ag1 h VAL 117 Cb 0.23 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1ag1 h VAL 117 CO 0.05 0.01 0.64 0.00 0.02 0.00 0.00 177.57 178.29 1ag1 h ALA 118 N 1.30 2.45 -0.42 1.67 0.00 -0.42 0.40 119.26 124.24 1ag1 h ALA 118 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ag1 h ALA 118 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ag1 h ALA 118 CO -0.29 -0.76 0.00 0.45 0.00 0.00 0.00 179.25 178.66 1ag1 n SER 119 N -4.44 2.28 0.00 0.00 2.88 0.97 -4.94 113.62 110.37 1ag1 n SER 119 Ca 0.20 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.75 1ag1 n SER 119 Cb 0.84 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1ag1 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ag1 n GLY 120 N 1.18 0.89 3.81 0.46 0.00 0.13 -5.03 105.19 106.62 1ag1 n GLY 120 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1ag1 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ag1 s PHE 121 N -2.90 3.13 -0.17 1.61 0.40 -1.05 -4.99 117.98 114.00 1ag1 s PHE 121 Ca 0.00 1.59 -0.18 0.00 -0.60 0.00 0.00 56.93 57.73 1ag1 s PHE 121 Cb 0.00 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.52 1ag1 s PHE 121 CO 0.00 -0.52 0.51 -1.64 0.70 0.00 0.00 175.22 174.27 1ag1 s MET 122 N -3.23 4.24 -0.09 0.44 -1.94 0.28 -4.56 119.30 114.44 1ag1 s MET 122 Ca 0.65 0.44 0.01 0.00 -1.71 0.00 0.00 55.69 55.07 1ag1 s MET 122 Cb -0.13 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 1ag1 s MET 122 CO 0.17 -0.05 -0.10 0.08 -0.01 0.00 0.00 175.02 175.11 1ag1 s VAL 123 N 1.32 3.43 -0.52 -6.03 1.01 -0.71 -1.85 120.40 117.05 1ag1 s VAL 123 Ca 0.25 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1ag1 s VAL 123 Cb -0.15 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 33.94 1ag1 s VAL 123 CO 0.10 0.57 0.43 -0.63 0.00 0.00 0.00 175.10 175.56 1ag1 s ILE 124 N -0.39 4.66 -0.18 2.22 1.01 0.44 -0.51 121.20 128.46 1ag1 s ILE 124 Ca 0.05 -1.72 -0.12 0.00 0.00 0.00 0.00 60.65 58.86 1ag1 s ILE 124 Cb -0.12 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1ag1 s ILE 124 CO 0.02 -0.83 0.22 0.00 0.00 0.00 0.00 174.94 174.36 1ag1 s ALA 125 N 1.39 3.63 -0.19 9.38 0.00 0.16 0.10 121.76 136.23 1ag1 s ALA 125 Ca 0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1ag1 s ALA 125 Cb -0.27 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 1ag1 s ALA 125 CO 0.00 0.12 0.10 0.00 0.00 0.00 0.00 175.76 175.98 1ag1 s ILE 127 N 0.32 0.45 0.00 0.00 -4.36 -1.04 -4.59 121.20 111.98 1ag1 s ILE 127 Ca 0.06 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1ag1 s ILE 127 Cb -0.12 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.43 1ag1 s ILE 127 CO -0.01 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 175.05 1ag1 n GLY 128 N 0.61 3.16 3.95 6.27 0.00 -1.26 0.26 105.19 118.19 1ag1 n GLY 128 Ca -0.17 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 1ag1 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ag1 s GLU 129 N -1.86 3.46 0.52 1.61 1.03 -1.25 -4.79 118.70 117.41 1ag1 s GLU 129 Ca 0.00 -0.59 0.00 0.00 0.03 0.00 0.00 54.97 54.41 1ag1 s GLU 129 Cb 0.00 -2.89 0.02 0.00 -0.80 0.00 0.00 34.13 30.46 1ag1 s GLU 129 CO 0.00 0.44 0.75 0.95 -1.33 0.00 0.00 175.26 176.07 1ag1 s THR 130 N -1.89 3.23 0.22 1.83 -4.23 -1.26 -1.52 115.64 112.02 1ag1 s THR 130 Ca 0.35 -0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 1ag1 s THR 130 Cb -0.10 -3.22 0.23 0.00 1.34 0.00 0.00 72.50 70.75 1ag1 s THR 130 CO 0.29 -0.16 1.66 0.25 -0.54 0.00 0.00 174.62 176.12 1ag1 h LEU 131 N 0.15 -0.28 0.71 4.79 5.85 -1.80 0.24 115.31 124.98 1ag1 h LEU 131 Ca -0.44 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 1ag1 h LEU 131 Cb 1.28 0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.60 1ag1 h LEU 131 CO 0.55 -0.13 -0.34 1.56 -0.34 0.00 0.00 178.44 179.74 1ag1 h GLN 132 N 0.12 -0.92 -0.82 1.25 7.50 -1.95 1.45 115.11 121.74 1ag1 h GLN 132 Ca 0.36 0.06 0.14 0.00 0.50 0.00 0.00 58.65 59.71 1ag1 h GLN 132 Cb 0.59 0.21 -0.09 0.00 0.05 0.00 0.00 27.48 28.24 1ag1 h GLN 132 CO -0.57 -0.59 0.41 0.93 -1.50 0.00 0.00 178.83 177.51 1ag1 h GLU 133 N -1.04 0.59 0.32 1.46 5.08 -1.84 0.25 114.58 119.40 1ag1 h GLU 133 Ca -0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1ag1 h GLU 133 Cb 0.75 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ag1 h GLU 133 CO 0.16 0.39 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.32 1ag1 h ARG 134 N 0.60 -0.41 -0.95 2.33 2.43 -0.07 0.11 114.38 118.42 1ag1 h ARG 134 Ca 0.44 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.80 1ag1 h ARG 134 Cb 0.61 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 1ag1 h ARG 134 CO -0.35 -0.22 0.60 0.93 -1.51 0.00 0.00 179.97 179.42 1ag1 h GLU 135 N -0.51 0.71 -0.58 0.20 4.39 0.35 0.03 114.58 119.18 1ag1 h GLU 135 Ca -0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1ag1 h GLU 135 Cb 0.38 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1ag1 h GLU 135 CO 0.07 0.47 0.00 -1.13 -1.16 0.00 0.00 179.01 177.26 1ag1 n SER 136 N -4.62 1.62 0.00 1.42 3.41 0.75 -4.87 113.62 111.32 1ag1 n SER 136 Ca 0.20 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1ag1 n SER 136 Cb 0.51 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1ag1 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ag1 n GLY 137 N 0.43 0.76 0.84 5.00 0.00 -0.00 -4.92 105.19 107.29 1ag1 n GLY 137 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1ag1 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ag1 n ARG 138 N -2.37 2.07 -0.28 1.61 1.74 0.33 -4.65 116.66 115.11 1ag1 n ARG 138 Ca 0.00 -1.62 -0.11 0.00 -0.77 0.00 0.00 57.85 55.35 1ag1 n ARG 138 Cb 0.01 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 1ag1 n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ag1 h THR 139 N 2.61 0.00 -0.74 0.55 2.02 -1.84 -0.73 112.91 114.78 1ag1 h THR 139 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1ag1 h THR 139 Cb 0.62 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1ag1 h THR 139 CO 0.01 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.15 1ag1 h ALA 140 N 0.17 1.04 -0.57 6.16 0.00 -1.96 -0.88 119.26 123.21 1ag1 h ALA 140 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ag1 h ALA 140 Cb 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ag1 h ALA 140 CO -0.74 0.66 0.23 0.28 0.00 0.00 0.00 179.25 179.68 1ag1 h VAL 141 N 1.10 1.22 0.36 0.00 2.07 -1.73 -0.90 116.25 118.36 1ag1 h VAL 141 Ca 0.24 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ag1 h VAL 141 Cb 0.28 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ag1 h VAL 141 CO -0.01 0.27 -0.17 0.58 0.02 0.00 0.00 177.57 178.25 1ag1 h VAL 142 N 0.78 0.54 -0.22 2.57 2.07 -0.88 -2.40 116.25 118.72 1ag1 h VAL 142 Ca 0.19 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1ag1 h VAL 142 Cb 0.20 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1ag1 h VAL 142 CO -0.02 0.10 -0.20 -0.37 0.02 0.00 0.00 177.57 177.10 1ag1 h VAL 143 N -0.88 0.46 -0.36 2.57 -1.51 -1.15 -1.01 116.25 114.36 1ag1 h VAL 143 Ca -0.05 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.46 1ag1 h VAL 143 Cb 0.53 0.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.14 1ag1 h VAL 143 CO 0.08 0.00 0.24 -0.07 -1.23 0.00 0.00 177.57 176.59 1ag1 h LEU 144 N -0.22 0.29 -0.37 4.19 3.38 -1.22 -1.51 115.31 119.86 1ag1 h LEU 144 Ca 0.13 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1ag1 h LEU 144 Cb 0.41 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ag1 h LEU 144 CO -0.34 0.20 -0.54 0.74 0.09 0.00 0.00 178.44 178.58 1ag1 h THR 145 N 0.34 1.29 0.06 0.22 2.02 -0.83 0.13 112.91 116.14 1ag1 h THR 145 Ca 0.15 -1.75 -0.00 0.00 0.77 0.00 0.00 66.41 65.58 1ag1 h THR 145 Cb 0.18 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1ag1 h THR 145 CO -0.03 0.56 -0.03 1.56 0.37 0.00 0.00 175.52 177.95 1ag1 h GLN 146 N 0.60 -0.08 0.07 6.66 4.20 -0.29 -1.28 115.11 125.00 1ag1 h GLN 146 Ca 0.01 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ag1 h GLN 146 Cb 1.13 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1ag1 h GLN 146 CO 0.12 0.02 -0.03 0.97 -0.67 0.00 0.00 178.83 179.23 1ag1 h ILE 147 N -0.16 1.11 -0.90 2.54 6.09 -1.26 -3.17 117.51 121.77 1ag1 h ILE 147 Ca -0.01 -0.65 0.13 0.00 -1.37 0.00 0.00 64.86 62.96 1ag1 h ILE 147 Cb 0.14 1.53 -0.09 0.00 0.47 0.00 0.00 36.82 38.87 1ag1 h ILE 147 CO 0.01 0.16 0.52 0.00 -3.07 0.00 0.00 178.15 175.77 1ag1 h ALA 148 N 0.51 1.35 -0.67 0.18 0.00 -0.71 -0.08 119.26 119.83 1ag1 h ALA 148 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ag1 h ALA 148 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ag1 h ALA 148 CO 0.02 0.06 0.35 0.00 0.00 0.00 0.00 179.25 179.67 1ag1 h ALA 149 N 1.53 0.87 -0.58 0.00 0.00 -1.22 0.62 119.26 120.48 1ag1 h ALA 149 Ca 0.46 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1ag1 h ALA 149 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ag1 h ALA 149 CO -0.30 0.40 -0.05 0.82 0.00 0.00 0.00 179.25 180.12 1ag1 h ILE 150 N 0.93 1.27 0.00 0.00 2.04 -1.38 -3.07 117.51 117.30 1ag1 h ILE 150 Ca 0.23 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1ag1 h ILE 150 Cb 0.07 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1ag1 h ILE 150 CO -0.03 0.44 -0.16 0.00 0.00 0.00 0.00 178.15 178.39 1ag1 h ALA 151 N 0.96 1.12 0.00 1.87 0.00 -0.10 -2.88 119.26 120.22 1ag1 h ALA 151 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ag1 h ALA 151 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ag1 h ALA 151 CO 0.04 0.20 0.00 0.36 0.00 0.00 0.00 179.25 179.85 1ag1 n LYS 152 N -3.46 0.73 0.00 0.00 2.85 0.12 -2.53 118.16 115.87 1ag1 n LYS 152 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1ag1 n LYS 152 Cb 0.33 -1.12 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 1ag1 n LYS 152 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1ag1 n LYS 153 N -0.62 0.74 -4.23 -1.58 5.02 -1.09 -5.06 118.16 111.35 1ag1 n LYS 153 Ca 0.04 -0.30 -0.23 0.00 -2.02 0.00 0.00 58.31 55.81 1ag1 n LYS 153 Cb 0.02 -0.77 -0.06 0.00 -0.02 0.00 0.00 35.03 34.19 1ag1 n LYS 153 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ag1 s LEU 154 N -0.38 3.37 0.32 -0.35 1.43 -1.05 -4.91 118.68 117.10 1ag1 s LEU 154 Ca 0.00 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1ag1 s LEU 154 Cb 0.00 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1ag1 s LEU 154 CO 0.00 -0.03 0.22 -0.54 0.23 0.00 0.00 176.35 176.23 1ag1 s LYS 155 N -3.73 2.65 0.28 1.70 1.02 -1.26 -4.99 119.74 115.42 1ag1 s LYS 155 Ca 0.32 -1.32 0.03 0.00 0.02 0.00 0.00 55.97 55.02 1ag1 s LYS 155 Cb -0.07 -2.40 0.65 0.00 -0.52 0.00 0.00 37.83 35.49 1ag1 s LYS 155 CO 0.21 0.17 1.75 -0.22 -0.92 0.00 0.00 175.35 176.35 1ag1 h LYS 156 N 1.40 0.61 0.00 1.68 3.64 -1.98 0.04 116.57 121.95 1ag1 h LYS 156 Ca -0.45 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1ag1 h LYS 156 Cb 1.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1ag1 h LYS 156 CO 0.60 0.40 -0.21 0.00 -2.27 0.00 0.00 179.45 177.97 1ag1 h ALA 157 N 1.62 1.52 -0.96 5.00 0.00 -2.04 -2.77 119.26 121.63 1ag1 h ALA 157 Ca 0.53 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1ag1 h ALA 157 Cb 0.83 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1ag1 h ALA 157 CO -0.41 0.26 0.62 -0.44 0.00 0.00 0.00 179.25 179.29 1ag1 h ASP 158 N 0.00 1.03 0.00 0.00 3.32 -1.37 -2.90 116.42 116.50 1ag1 h ASP 158 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ag1 h ASP 158 Cb 0.41 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ag1 h ASP 158 CO 0.03 0.69 0.38 0.79 -1.72 0.00 0.00 179.24 179.41 1ag1 n TRP 159 N -4.49 0.30 0.38 4.55 7.02 -1.04 -0.61 117.44 123.54 1ag1 n TRP 159 Ca 0.13 0.16 0.14 0.00 -1.02 0.00 0.00 57.50 56.91 1ag1 n TRP 159 Cb 0.12 -0.48 0.49 0.00 -2.42 0.00 0.00 31.31 29.02 1ag1 n TRP 159 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ag1 h ALA 160 N 0.92 1.00 -0.01 6.99 0.00 -1.72 -2.63 119.26 123.80 1ag1 h ALA 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ag1 h ALA 160 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ag1 h ALA 160 CO 0.00 0.00 -0.52 1.63 0.00 0.00 0.00 179.25 180.36 1ag1 n LYS 161 N -2.63 1.27 -3.84 0.00 4.76 0.22 -4.99 118.16 112.94 1ag1 n LYS 161 Ca 0.03 -0.74 -0.37 0.00 -2.87 0.00 0.00 58.31 54.36 1ag1 n LYS 161 Cb 0.34 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 1ag1 n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ag1 s VAL 162 N -2.36 5.48 -0.06 -0.18 1.01 -1.00 -1.74 120.40 121.55 1ag1 s VAL 162 Ca 0.15 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1ag1 s VAL 162 Cb 0.16 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1ag1 s VAL 162 CO 0.56 0.59 -0.13 -0.69 0.00 0.00 0.00 175.10 175.43 1ag1 s VAL 163 N -0.80 1.20 -0.13 2.92 1.01 0.34 -4.50 120.40 120.44 1ag1 s VAL 163 Ca 0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1ag1 s VAL 163 Cb -0.12 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1ag1 s VAL 163 CO 0.03 0.36 0.00 -0.63 0.00 0.00 0.00 175.10 174.87 1ag1 s ILE 164 N 0.43 4.27 -0.23 2.22 -1.09 -0.63 -0.66 121.20 125.50 1ag1 s ILE 164 Ca -0.11 -0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1ag1 s ILE 164 Cb -0.14 -2.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.91 1ag1 s ILE 164 CO 0.03 0.54 -0.09 0.00 -1.23 0.00 0.00 174.94 174.19 1ag1 s ALA 165 N -0.19 2.64 -0.28 9.38 0.00 -0.66 0.29 121.76 132.95 1ag1 s ALA 165 Ca 0.05 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.36 1ag1 s ALA 165 Cb -0.13 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1ag1 s ALA 165 CO 0.02 -0.70 0.87 -0.47 0.00 0.00 0.00 175.76 175.49 1ag1 s TYR 166 N 1.33 3.25 -0.36 0.00 5.04 0.25 -2.49 117.35 124.36 1ag1 s TYR 166 Ca 0.01 1.06 -0.12 0.00 -2.44 0.00 0.00 57.07 55.58 1ag1 s TYR 166 Cb -0.16 -3.23 0.01 0.00 0.35 0.00 0.00 41.96 38.93 1ag1 s TYR 166 CO -0.06 -0.53 0.22 -1.21 -1.34 0.00 0.00 175.55 172.64 1ag1 s GLU 167 N 3.05 3.14 -1.25 4.97 2.02 0.74 0.06 118.70 131.43 1ag1 s GLU 167 Ca 0.36 -0.88 -0.20 0.00 0.02 0.00 0.00 54.97 54.28 1ag1 s GLU 167 Cb -0.14 -3.77 -0.00 0.00 0.10 0.00 0.00 34.13 30.32 1ag1 s GLU 167 CO 0.10 -0.58 1.84 -0.35 0.02 0.00 0.00 175.26 176.29 1ag1 n PRO 168 N 5.06 2.51 0.16 0.39 -0.04 -1.26 -3.74 135.00 138.08 1ag1 n PRO 168 Ca -0.12 -2.89 0.05 0.00 -0.04 0.00 0.00 63.50 60.50 1ag1 n PRO 168 Cb 0.48 -3.56 0.51 0.00 -0.04 0.00 0.00 33.50 30.89 1ag1 n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ag1 h VAL 169 N 5.68 1.08 0.00 0.52 2.07 -1.58 -2.13 116.25 121.89 1ag1 h VAL 169 Ca 0.37 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ag1 h VAL 169 Cb 0.88 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1ag1 h VAL 169 CO 1.41 0.10 -0.01 4.11 0.02 0.00 0.00 177.57 183.20 1ag1 h TRP 170 N 0.18 0.00 -0.24 1.57 5.08 -1.66 -0.73 115.95 120.15 1ag1 h TRP 170 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 1ag1 h TRP 170 Cb 0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.27 1ag1 h TRP 170 CO 0.00 0.01 0.00 0.00 -1.28 0.00 0.00 178.44 177.17 1ag1 n ALA 171 N -2.53 2.48 -2.95 0.11 0.00 -0.81 -4.51 120.51 112.30 1ag1 n ALA 171 Ca -0.03 -0.71 -0.39 0.00 0.00 0.00 0.00 53.44 52.31 1ag1 n ALA 171 Cb 0.10 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1ag1 n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ag1 s ILE 172 N -1.70 4.40 0.00 0.00 1.01 -0.28 -4.51 121.20 120.12 1ag1 s ILE 172 Ca 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1ag1 s ILE 172 Cb 0.20 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1ag1 s ILE 172 CO 0.29 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1ag1 n GLY 173 N 4.95 0.28 0.00 6.18 0.00 -1.26 -4.88 105.19 110.46 1ag1 n GLY 173 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1ag1 n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ag1 n THR 174 N -2.48 0.00 0.00 2.61 -2.24 -1.26 -5.00 114.28 105.91 1ag1 n THR 174 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1ag1 n THR 174 Cb 0.22 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1ag1 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ag1 n GLY 175 N 1.45 2.90 3.82 3.38 0.00 -1.26 -5.07 105.19 110.40 1ag1 n GLY 175 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ag1 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ag1 s LYS 176 N -0.55 2.13 -0.03 1.61 1.02 -1.26 -5.11 119.74 117.55 1ag1 s LYS 176 Ca 0.00 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1ag1 s LYS 176 Cb 0.00 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1ag1 s LYS 176 CO 0.00 -1.57 0.01 0.08 -0.92 0.00 0.00 175.35 172.95 1ag1 s VAL 177 N -3.21 0.15 -0.09 3.17 1.01 -1.26 -4.84 120.40 115.33 1ag1 s VAL 177 Ca 0.61 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1ag1 s VAL 177 Cb -0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1ag1 s VAL 177 CO 0.54 0.14 0.23 0.00 0.00 0.00 0.00 175.10 176.01 1ag1 s ALA 178 N 1.12 3.80 0.42 5.51 0.00 -1.26 -5.05 121.76 126.30 1ag1 s ALA 178 Ca -0.08 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.45 1ag1 s ALA 178 Cb -0.13 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ag1 s ALA 178 CO -0.02 0.52 0.52 0.95 0.00 0.00 0.00 175.76 177.74 1ag1 s THR 179 N -0.89 2.87 0.22 0.00 -4.23 -1.26 -4.99 115.64 107.36 1ag1 s THR 179 Ca 0.17 -1.10 -0.10 0.00 -1.18 0.00 0.00 61.69 59.49 1ag1 s THR 179 Cb -0.13 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 70.91 1ag1 s THR 179 CO 0.07 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.38 1ag1 h PRO 180 N 0.73 1.04 -0.49 3.99 0.11 -1.98 -1.27 132.00 134.13 1ag1 h PRO 180 Ca -0.40 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1ag1 h PRO 180 Cb 1.28 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1ag1 h PRO 180 CO 0.48 0.69 0.32 1.96 -0.21 0.00 0.00 178.00 181.24 1ag1 h GLN 181 N 1.07 0.62 -0.07 1.05 7.50 -1.96 -0.61 115.11 122.70 1ag1 h GLN 181 Ca 0.29 -0.04 -0.19 0.00 0.50 0.00 0.00 58.65 59.22 1ag1 h GLN 181 Cb -0.12 -0.14 -0.00 0.00 0.05 0.00 0.00 27.48 27.27 1ag1 h GLN 181 CO -0.07 0.41 -0.75 1.96 -1.50 0.00 0.00 178.83 178.89 1ag1 h GLN 182 N 0.64 0.40 0.21 1.46 4.20 -1.65 -1.08 115.11 119.28 1ag1 h GLN 182 Ca 0.18 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1ag1 h GLN 182 Cb -0.03 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1ag1 h GLN 182 CO -0.04 0.98 -0.10 0.00 -0.67 0.00 0.00 178.83 179.00 1ag1 h ALA 183 N 0.92 -0.28 -0.78 3.87 0.00 -0.98 -2.21 119.26 119.80 1ag1 h ALA 183 Ca -0.03 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ag1 h ALA 183 Cb 1.33 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.15 1ag1 h ALA 183 CO 0.13 -0.59 0.42 0.37 0.00 0.00 0.00 179.25 179.58 1ag1 h GLN 184 N -0.41 0.67 -0.55 0.00 5.75 -1.07 0.20 115.11 119.69 1ag1 h GLN 184 Ca -0.03 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 1ag1 h GLN 184 Cb 0.31 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1ag1 h GLN 184 CO 0.05 0.44 0.03 0.93 -2.65 0.00 0.00 178.83 177.63 1ag1 h GLU 185 N 0.69 0.96 -0.70 1.69 5.08 -0.95 0.12 114.58 121.48 1ag1 h GLU 185 Ca 0.39 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1ag1 h GLU 185 Cb 0.41 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1ag1 h GLU 185 CO -0.27 0.95 0.19 0.00 -1.00 0.00 0.00 179.01 178.88 1ag1 h ALA 186 N 0.97 0.92 -0.56 3.43 0.00 -0.65 -2.48 119.26 120.88 1ag1 h ALA 186 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1ag1 h ALA 186 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ag1 h ALA 186 CO 0.02 0.63 0.20 0.45 0.00 0.00 0.00 179.25 180.55 1ag1 h HIS 187 N 1.04 0.88 -0.56 0.00 3.86 -0.24 -2.83 115.15 117.30 1ag1 h HIS 187 Ca 0.22 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1ag1 h HIS 187 Cb 0.35 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1ag1 h HIS 187 CO 0.03 0.73 0.06 0.00 0.86 0.00 0.00 177.93 179.60 1ag1 h ALA 188 N 1.06 1.04 -0.30 2.45 0.00 -0.68 -1.69 119.26 121.14 1ag1 h ALA 188 Ca 0.19 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ag1 h ALA 188 Cb 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1ag1 h ALA 188 CO -0.01 0.61 -0.04 1.25 0.00 0.00 0.00 179.25 181.06 1ag1 h LEU 189 N 0.86 -0.19 0.37 0.00 5.85 -1.29 0.48 115.31 121.39 1ag1 h LEU 189 Ca 0.17 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ag1 h LEU 189 Cb 0.43 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1ag1 h LEU 189 CO 0.01 -0.06 -0.23 0.40 -0.34 0.00 0.00 178.44 178.22 1ag1 h ILE 190 N 0.04 0.52 -0.63 4.05 2.04 -1.27 -2.23 117.51 120.04 1ag1 h ILE 190 Ca 0.14 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.12 1ag1 h ILE 190 Cb 0.20 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 1ag1 h ILE 190 CO -0.27 0.00 0.15 -0.09 0.00 0.00 0.00 178.15 177.94 1ag1 h ARG 191 N -0.57 0.28 -0.07 2.37 2.43 -0.81 -0.54 114.38 117.46 1ag1 h ARG 191 Ca -0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1ag1 h ARG 191 Cb 0.47 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1ag1 h ARG 191 CO 0.04 0.18 -0.07 0.77 -1.51 0.00 0.00 179.97 179.38 1ag1 h SER 192 N 0.29 0.09 -0.18 -3.80 0.02 -0.60 0.20 113.55 109.57 1ag1 h SER 192 Ca 0.33 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 1ag1 h SER 192 Cb 0.50 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1ag1 h SER 192 CO -0.41 0.18 -0.36 -0.25 -1.14 0.00 0.00 176.83 174.85 1ag1 h TRP 193 N 0.10 0.70 0.14 3.45 7.01 -0.55 -0.27 115.95 126.54 1ag1 h TRP 193 Ca 0.02 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 60.76 1ag1 h TRP 193 Cb 0.20 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1ag1 h TRP 193 CO 0.00 1.00 -0.07 0.28 -2.79 0.00 0.00 178.44 176.86 1ag1 h VAL 194 N 0.21 0.94 -0.87 2.65 2.07 -0.60 0.80 116.25 121.46 1ag1 h VAL 194 Ca 0.00 -0.34 0.20 0.00 0.82 0.00 0.00 66.70 67.39 1ag1 h VAL 194 Cb 0.96 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1ag1 h VAL 194 CO 0.08 0.08 0.58 -1.28 0.02 0.00 0.00 177.57 177.05 1ag1 h SER 195 N -0.35 0.34 0.14 0.57 0.87 -0.65 0.69 113.55 115.16 1ag1 h SER 195 Ca -0.02 0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.26 1ag1 h SER 195 Cb 0.28 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1ag1 h SER 195 CO 0.03 0.14 -1.62 -1.28 -0.53 0.00 0.00 176.83 173.57 1ag1 h SER 196 N 0.34 0.47 0.19 6.23 0.87 -0.66 -3.23 113.55 117.76 1ag1 h SER 196 Ca 0.44 -0.89 -0.35 0.00 -1.23 0.00 0.00 61.79 59.76 1ag1 h SER 196 Cb 1.19 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1ag1 h SER 196 CO -0.14 1.72 -1.98 0.29 -0.53 0.00 0.00 176.83 176.18 1ag1 n LYS 197 N -3.75 0.73 0.00 2.24 4.76 0.24 -4.74 118.16 117.64 1ag1 n LYS 197 Ca -0.26 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ag1 n LYS 197 Cb 0.98 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1ag1 n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ag1 n ILE 198 N -3.37 0.00 0.00 -0.18 2.08 0.23 -5.07 119.36 113.06 1ag1 n ILE 198 Ca -0.30 0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1ag1 n ILE 198 Cb 1.05 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.72 1ag1 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ag1 n GLY 199 N 1.95 1.10 0.28 7.39 0.00 -0.83 -4.98 105.19 110.08 1ag1 n GLY 199 Ca 0.00 -0.37 0.16 0.00 0.00 0.00 0.00 46.02 45.81 1ag1 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ag1 h ALA 200 N 0.00 1.08 0.15 4.61 0.00 -1.84 0.11 119.26 123.36 1ag1 h ALA 200 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 1ag1 h ALA 200 Cb 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ag1 h ALA 200 CO 0.00 0.09 -1.22 0.38 0.00 0.00 0.00 179.25 178.50 1ag1 h ASP 201 N 0.00 0.81 0.19 0.00 2.03 -1.94 -2.31 116.42 115.19 1ag1 h ASP 201 Ca -0.00 -0.86 -0.01 0.00 -0.73 0.00 0.00 57.03 55.43 1ag1 h ASP 201 Cb 0.42 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1ag1 h ASP 201 CO 0.01 1.59 -0.09 0.58 -1.03 0.00 0.00 179.24 180.30 1ag1 h VAL 202 N 0.15 0.90 -0.73 4.15 2.07 -1.81 -3.09 116.25 117.89 1ag1 h VAL 202 Ca -0.19 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 67.06 1ag1 h VAL 202 Cb 1.91 1.14 -0.14 0.00 -1.52 0.00 0.00 31.29 32.69 1ag1 h VAL 202 CO 0.23 0.09 -0.22 0.00 0.02 0.00 0.00 177.57 177.70 1ag1 h ALA 203 N 0.32 0.39 0.00 1.67 0.00 -1.01 0.26 119.26 120.89 1ag1 h ALA 203 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ag1 h ALA 203 Cb 0.35 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ag1 h ALA 203 CO 0.04 -0.46 0.00 0.78 0.00 0.00 0.00 179.25 179.61 1ag1 h GLY 204 N -0.03 0.00 0.53 0.00 0.00 -1.45 -2.93 103.07 99.19 1ag1 h GLY 204 Ca 0.34 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.40 1ag1 h GLY 204 CO -0.76 0.00 -1.92 1.18 0.00 0.00 0.00 176.54 175.03 1ag1 n GLU 205 N -2.63 0.65 -1.68 4.80 1.02 0.64 -4.50 120.64 118.94 1ag1 n GLU 205 Ca 0.02 0.12 -0.45 0.00 -0.02 0.00 0.00 57.16 56.83 1ag1 n GLU 205 Cb 0.29 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1ag1 n GLU 205 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ag1 n LEU 206 N -2.83 3.27 -4.73 -4.62 7.94 0.38 -4.81 117.00 111.60 1ag1 n LEU 206 Ca -0.20 1.12 -0.36 0.00 -1.11 0.00 0.00 56.01 55.46 1ag1 n LEU 206 Cb 1.00 -1.45 -0.07 0.00 0.53 0.00 0.00 43.42 43.43 1ag1 n LEU 206 CO 0.44 -0.33 -0.06 -0.13 -1.11 0.00 0.00 177.39 176.20 1ag1 s ARG 207 N 0.04 4.24 -0.18 1.96 3.00 -1.26 -4.92 118.95 121.83 1ag1 s ARG 207 Ca 0.71 0.01 0.00 0.00 0.00 0.00 0.00 55.73 56.46 1ag1 s ARG 207 Cb -0.64 -3.42 0.04 0.00 0.00 0.00 0.00 34.95 30.93 1ag1 s ARG 207 CO 0.45 0.25 -0.10 0.42 0.00 0.00 0.00 175.30 176.33 1ag1 s ILE 208 N 0.44 1.48 -0.08 1.52 1.01 -1.25 -1.61 121.20 122.72 1ag1 s ILE 208 Ca 0.14 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1ag1 s ILE 208 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1ag1 s ILE 208 CO 0.02 0.24 0.15 -0.76 0.00 0.00 0.00 174.94 174.60 1ag1 s LEU 209 N 1.48 4.37 -0.07 2.97 1.43 0.15 -0.99 118.68 128.02 1ag1 s LEU 209 Ca 0.01 0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 1ag1 s LEU 209 Cb -0.15 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1ag1 s LEU 209 CO -0.09 0.35 0.91 -0.47 0.23 0.00 0.00 176.35 177.29 1ag1 s TYR 210 N -1.14 3.56 -0.26 0.29 5.04 -0.12 0.85 117.35 125.56 1ag1 s TYR 210 Ca 0.20 1.51 0.12 0.00 -2.44 0.00 0.00 57.07 56.46 1ag1 s TYR 210 Cb -0.12 -3.07 0.59 0.00 0.35 0.00 0.00 41.96 39.71 1ag1 s TYR 210 CO 0.10 -0.10 1.56 0.41 -1.34 0.00 0.00 175.55 176.18 1ag1 n GLY 211 N 3.09 4.17 0.00 8.97 0.00 0.11 -1.52 105.19 120.00 1ag1 n GLY 211 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ag1 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ag1 n GLY 212 N -0.58 1.28 3.61 -0.02 0.00 -1.26 -4.59 105.19 103.63 1ag1 n GLY 212 Ca 0.31 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1ag1 n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ag1 s SER 213 N -1.00 6.48 -0.09 1.61 0.01 -1.26 -4.72 113.70 114.73 1ag1 s SER 213 Ca 0.00 0.93 0.02 0.00 1.31 0.00 0.00 55.95 58.22 1ag1 s SER 213 Cb 0.00 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1ag1 s SER 213 CO 0.00 -1.29 -0.16 0.54 0.41 0.00 0.00 173.24 172.74 1ag1 s VAL 214 N 4.97 1.46 0.44 3.43 0.11 -1.26 -5.00 120.40 124.56 1ag1 s VAL 214 Ca 0.58 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1ag1 s VAL 214 Cb -0.14 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1ag1 s VAL 214 CO 0.29 0.43 0.09 -0.46 -3.33 0.00 0.00 175.10 172.12 1ag1 n ASN 215 N 3.96 2.09 0.30 3.54 0.23 -1.26 -4.59 115.26 119.52 1ag1 n ASN 215 Ca -0.20 -3.16 0.20 0.00 -0.53 0.00 0.00 54.58 50.89 1ag1 n ASN 215 Cb 0.52 0.75 0.95 0.00 -2.08 0.00 0.00 39.78 39.92 1ag1 n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ag1 h GLY 216 N 1.44 0.00 0.64 4.83 0.00 -1.94 -2.82 103.07 105.23 1ag1 h GLY 216 Ca -0.35 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.63 1ag1 h GLY 216 CO 0.57 0.00 -1.84 0.50 0.00 0.00 0.00 176.54 175.77 1ag1 h LYS 217 N 0.00 0.28 -0.01 4.80 6.56 -1.96 -3.39 116.57 122.85 1ag1 h LYS 217 Ca 0.00 -0.48 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1ag1 h LYS 217 Cb 0.21 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1ag1 h LYS 217 CO 0.00 1.23 -0.25 0.27 -2.06 0.00 0.00 179.45 178.63 1ag1 n ASN 218 N -3.61 0.85 -0.02 0.86 6.94 -1.18 -4.53 115.26 114.57 1ag1 n ASN 218 Ca -0.30 -0.74 -0.10 0.00 -0.02 0.00 0.00 54.58 53.43 1ag1 n ASN 218 Cb 1.02 0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 38.50 1ag1 n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ag1 h ALA 219 N 3.58 -0.34 -0.09 -2.53 0.00 -1.70 -2.17 119.26 116.01 1ag1 h ALA 219 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ag1 h ALA 219 Cb 0.48 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ag1 h ALA 219 CO 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 179.25 178.53 1ag1 h ARG 220 N -0.37 0.12 0.00 0.00 3.08 -1.80 0.28 114.38 115.69 1ag1 h ARG 220 Ca 0.11 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1ag1 h ARG 220 Cb 0.54 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ag1 h ARG 220 CO -0.38 0.08 -0.15 1.79 -1.07 0.00 0.00 179.97 180.25 1ag1 h THR 221 N 0.12 0.75 0.15 2.04 1.35 -1.83 0.16 112.91 115.65 1ag1 h THR 221 Ca 0.03 -0.60 -0.22 0.00 -0.55 0.00 0.00 66.41 65.07 1ag1 h THR 221 Cb -0.01 1.36 0.03 0.00 -1.73 0.00 0.00 68.15 67.80 1ag1 h THR 221 CO -0.01 0.15 -0.96 -0.07 -0.25 0.00 0.00 175.52 174.38 1ag1 h LEU 222 N 0.00 0.59 -2.05 3.87 3.38 -0.86 -3.22 115.31 117.03 1ag1 h LEU 222 Ca -0.00 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 57.08 1ag1 h LEU 222 Cb 0.35 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ag1 h LEU 222 CO 0.02 1.46 0.07 0.22 0.09 0.00 0.00 178.44 180.30 1ag1 h TYR 223 N -0.18 0.00 0.00 1.13 3.20 0.27 -2.18 116.97 119.21 1ag1 h TYR 223 Ca -0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1ag1 h TYR 223 Cb 1.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1ag1 h TYR 223 CO 0.17 0.00 0.00 -0.56 -1.64 0.00 0.00 178.16 176.13 1ag1 h GLN 224 N 0.00 0.00 -6.46 1.82 3.07 -0.71 -3.43 115.11 109.40 1ag1 h GLN 224 Ca 0.05 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.25 1ag1 h GLN 224 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 1ag1 h GLN 224 CO -0.00 0.00 0.43 -0.65 0.09 0.00 0.00 178.83 178.70 1ag1 s GLN 225 N -4.03 4.54 0.14 0.06 -1.52 -0.82 -4.98 119.66 113.05 1ag1 s GLN 225 Ca -0.04 1.54 -0.21 0.00 -1.95 0.00 0.00 55.36 54.70 1ag1 s GLN 225 Cb 0.12 -3.41 0.01 0.00 -0.22 0.00 0.00 33.01 29.51 1ag1 s GLN 225 CO 0.44 -0.08 1.20 -2.13 -0.25 0.00 0.00 175.29 174.47 1ag1 n ARG 226 N 3.73 -0.30 -0.66 2.91 0.63 -1.26 -1.33 116.66 120.38 1ag1 n ARG 226 Ca 0.06 1.18 -0.01 0.00 -0.92 0.00 0.00 57.85 58.16 1ag1 n ARG 226 Cb 0.49 -1.74 0.23 0.00 0.45 0.00 0.00 32.46 31.89 1ag1 n ARG 226 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ag1 n ASP 227 N -5.02 3.96 -4.56 6.15 8.00 -1.26 -4.85 116.55 118.97 1ag1 n ASP 227 Ca 0.03 -2.74 -0.40 0.00 0.71 0.00 0.00 54.79 52.39 1ag1 n ASP 227 Cb 0.23 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 1ag1 n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ag1 s VAL 228 N -2.17 5.23 -0.17 2.53 1.01 -0.44 -4.69 120.40 121.69 1ag1 s VAL 228 Ca 0.37 0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.62 1ag1 s VAL 228 Cb 0.29 -3.72 0.48 0.00 0.00 0.00 0.00 36.38 33.44 1ag1 s VAL 228 CO 0.10 0.04 1.37 0.59 0.00 0.00 0.00 175.10 177.20 1ag1 n ASN 229 N 5.24 3.53 0.00 3.32 4.13 -0.16 -4.88 115.26 126.45 1ag1 n ASN 229 Ca -0.11 -3.07 0.00 0.00 1.68 0.00 0.00 54.58 53.08 1ag1 n ASN 229 Cb 0.50 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1ag1 n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ag1 n GLY 230 N -0.72 0.92 3.22 7.41 0.00 -1.26 -2.23 105.19 112.54 1ag1 n GLY 230 Ca 0.21 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1ag1 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ag1 s PHE 231 N -1.33 1.15 -0.36 1.61 0.08 -0.62 -0.95 117.98 117.56 1ag1 s PHE 231 Ca 0.00 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.26 1ag1 s PHE 231 Cb 0.00 -0.60 0.10 0.00 -0.57 0.00 0.00 43.02 41.95 1ag1 s PHE 231 CO 0.00 0.00 0.09 -1.17 -0.10 0.00 0.00 175.22 174.04 1ag1 s LEU 232 N -3.13 4.87 -0.15 -0.37 2.96 -0.58 -1.52 118.68 120.76 1ag1 s LEU 232 Ca 0.15 -2.14 -0.15 0.00 -0.22 0.00 0.00 54.13 51.77 1ag1 s LEU 232 Cb 0.03 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1ag1 s LEU 232 CO -0.01 -0.41 0.35 -0.69 -1.32 0.00 0.00 176.35 174.26 1ag1 s VAL 233 N 0.94 5.27 0.00 1.68 1.01 0.34 -4.42 120.40 125.22 1ag1 s VAL 233 Ca 0.10 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1ag1 s VAL 233 Cb -0.20 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1ag1 s VAL 233 CO -0.07 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1ag1 n GLY 234 N 3.40 1.60 0.25 4.51 0.00 -1.26 -1.21 105.19 112.48 1ag1 n GLY 234 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1ag1 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ag1 h GLY 235 N 0.00 0.81 2.00 -0.02 0.00 -1.94 -1.09 103.07 102.83 1ag1 h GLY 235 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ag1 h GLY 235 CO 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.32 1ag1 n ALA 236 N -2.79 1.49 0.21 3.60 0.00 -1.26 -2.27 120.51 119.49 1ag1 n ALA 236 Ca 0.12 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1ag1 n ALA 236 Cb 0.41 -1.18 0.44 0.00 0.00 0.00 0.00 19.45 19.12 1ag1 n ALA 236 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ag1 h SER 237 N 0.00 0.00 -0.14 0.00 4.64 -1.42 -2.57 113.55 114.06 1ag1 h SER 237 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ag1 h SER 237 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1ag1 h SER 237 CO 0.00 0.29 0.00 0.18 -0.87 0.00 0.00 176.83 176.43 1ag1 n LEU 238 N -3.54 1.31 -4.16 5.97 7.99 -0.96 -4.81 117.00 118.79 1ag1 n LEU 238 Ca -0.00 -0.66 -0.14 0.00 -0.01 0.00 0.00 56.01 55.20 1ag1 n LEU 238 Cb 0.43 -0.28 -0.11 0.00 -0.11 0.00 0.00 43.42 43.35 1ag1 n LEU 238 CO 0.35 0.26 -0.41 -0.54 -1.51 0.00 0.00 177.39 175.53 1ag1 s LYS 239 N -1.62 0.80 0.45 3.23 1.02 -0.97 -5.00 119.74 117.65 1ag1 s LYS 239 Ca 0.11 -1.11 0.21 0.00 0.02 0.00 0.00 55.97 55.20 1ag1 s LYS 239 Cb 0.07 -0.48 1.15 0.00 -0.52 0.00 0.00 37.83 38.05 1ag1 s LYS 239 CO 0.06 0.07 1.60 -1.35 -0.92 0.00 0.00 175.35 174.80 1ag1 h PRO 240 N 3.66 0.00 0.00 -1.68 0.10 -1.89 0.38 132.00 132.57 1ag1 h PRO 240 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.73 1ag1 h PRO 240 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 1ag1 h PRO 240 CO 0.52 0.00 0.00 1.49 0.10 0.00 0.00 178.00 180.11 1ag1 h GLU 241 N 0.00 0.00 0.00 1.05 4.81 -1.95 -0.89 114.58 117.60 1ag1 h GLU 241 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ag1 h GLU 241 Cb 0.51 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ag1 h GLU 241 CO 0.00 0.00 -0.02 0.35 -0.73 0.00 0.00 179.01 178.61 1ag1 h PHE 242 N 0.00 0.00 -0.72 0.92 3.57 -0.95 -0.52 116.94 119.24 1ag1 h PHE 242 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1ag1 h PHE 242 Cb 0.15 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1ag1 h PHE 242 CO 0.00 0.02 0.24 0.28 -2.23 0.00 0.00 178.31 176.62 1ag1 h VAL 243 N 0.00 1.25 0.00 1.41 2.07 -1.38 -1.05 116.25 118.54 1ag1 h VAL 243 Ca -0.00 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1ag1 h VAL 243 Cb 0.04 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1ag1 h VAL 243 CO 0.00 0.34 -0.31 0.44 0.02 0.00 0.00 177.57 178.05 1ag1 h ASP 244 N 1.05 0.00 -0.55 0.57 3.32 -1.27 -2.85 116.42 116.69 1ag1 h ASP 244 Ca 0.24 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1ag1 h ASP 244 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1ag1 h ASP 244 CO -0.01 0.31 0.06 0.40 -1.72 0.00 0.00 179.24 178.28 1ag1 h ILE 245 N 0.00 1.25 -0.22 0.35 2.04 -0.76 -2.47 117.51 117.72 1ag1 h ILE 245 Ca -0.00 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 1ag1 h ILE 245 Cb 0.72 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1ag1 h ILE 245 CO 0.04 0.38 -0.13 0.40 0.00 0.00 0.00 178.15 178.84 1ag1 h ILE 246 N 0.91 1.31 0.00 -0.67 2.04 -1.03 -3.08 117.51 116.99 1ag1 h ILE 246 Ca 0.18 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1ag1 h ILE 246 Cb 0.45 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1ag1 h ILE 246 CO 0.02 0.37 -0.12 0.11 0.00 0.00 0.00 178.15 178.53 1ag1 h LYS 247 N 0.17 0.00 0.00 2.37 6.56 -1.51 -2.44 116.57 121.71 1ag1 h LYS 247 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1ag1 h LYS 247 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1ag1 h LYS 247 CO 0.04 0.12 0.00 0.00 -2.06 0.00 0.00 179.45 177.55 1ag1 n ALA 248 N -2.42 2.05 0.25 3.86 0.00 -0.93 -1.53 120.51 121.78 1ag1 n ALA 248 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1ag1 n ALA 248 Cb 0.20 -1.11 0.13 0.00 0.00 0.00 0.00 19.45 18.68 1ag1 n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ag1 n THR 249 N -0.70 0.45 0.00 0.00 -2.24 -0.92 -4.44 114.28 106.44 1ag1 n THR 249 Ca 0.05 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1ag1 n THR 249 Cb 0.02 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1ag1 n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50