#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju8 s ASN 2 N 0.00 7.08 0.40 6.12 3.04 -1.26 -4.90 114.94 125.42 2ju8 s ASN 2 Ca 0.00 2.00 0.28 0.00 0.04 0.00 0.00 52.86 55.18 2ju8 s ASN 2 Cb 0.00 -2.58 1.41 0.00 -1.54 0.00 0.00 41.25 38.55 2ju8 s ASN 2 CO 0.00 -0.48 1.85 -0.26 -3.04 0.00 0.00 177.10 175.17 2ju8 h PHE 3 N 6.88 0.00 -0.04 0.43 0.04 -1.98 -3.46 116.94 118.81 2ju8 h PHE 3 Ca -0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.36 2ju8 h PHE 3 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2ju8 h PHE 3 CO 0.68 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.82 2ju8 n SER 4 N -2.50 -0.12 0.00 2.17 7.64 -1.26 -5.00 113.62 114.54 2ju8 n SER 4 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2ju8 n SER 4 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2ju8 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ju8 n GLY 5 N 0.00 1.60 3.55 0.23 0.00 -1.05 -4.88 105.19 104.65 2ju8 n GLY 5 Ca 0.00 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2ju8 n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ju8 s LYS 6 N -2.02 3.83 0.12 1.61 2.36 -1.26 -1.17 119.74 123.21 2ju8 s LYS 6 Ca 0.00 -0.41 0.08 0.00 -2.55 0.00 0.00 55.97 53.08 2ju8 s LYS 6 Cb 0.00 -3.22 -0.04 0.00 -1.05 0.00 0.00 37.83 33.52 2ju8 s LYS 6 CO 0.00 0.11 -0.10 0.71 1.55 0.00 0.00 175.35 177.62 2ju8 s TYR 7 N 0.80 2.71 -0.12 4.03 2.02 0.46 -2.81 117.35 124.44 2ju8 s TYR 7 Ca 0.03 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 2ju8 s TYR 7 Cb -0.14 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 2ju8 s TYR 7 CO 0.02 0.44 -0.19 -1.14 -1.57 0.00 0.00 175.55 173.11 2ju8 s GLN 8 N -2.32 2.68 0.40 -0.62 2.00 -0.86 -1.27 119.66 119.67 2ju8 s GLN 8 Ca 0.22 -0.73 -0.26 0.00 -2.00 0.00 0.00 55.36 52.59 2ju8 s GLN 8 Cb -0.11 -2.17 -0.09 0.00 0.80 0.00 0.00 33.01 31.45 2ju8 s GLN 8 CO 0.14 -0.00 1.20 0.08 -0.50 0.00 0.00 175.29 176.20 2ju8 s VAL 9 N 0.80 3.04 -0.08 1.34 1.01 -0.16 -2.25 120.40 124.11 2ju8 s VAL 9 Ca -0.09 0.90 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 2ju8 s VAL 9 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2ju8 s VAL 9 CO -0.00 0.10 -0.08 0.00 0.00 0.00 0.00 175.10 175.12 2ju8 n GLN 10 N 0.14 0.19 -3.69 2.72 6.02 0.66 -4.19 117.38 119.24 2ju8 n GLN 10 Ca 0.04 0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 57.06 2ju8 n GLN 10 Cb 0.46 -1.10 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 2ju8 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ju8 s SER 11 N -4.93 -0.15 -0.07 1.08 0.15 -1.26 -4.94 113.70 103.57 2ju8 s SER 11 Ca -0.11 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 2ju8 s SER 11 Cb 0.03 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 2ju8 s SER 11 CO 0.18 -0.68 0.18 -1.58 1.20 0.00 0.00 173.24 172.54 2ju8 s GLN 12 N -2.99 0.15 -0.10 5.44 2.00 -1.26 -3.15 119.66 119.77 2ju8 s GLN 12 Ca 0.12 0.36 -0.09 0.00 -2.00 0.00 0.00 55.36 53.75 2ju8 s GLN 12 Cb 0.01 -0.07 -0.04 0.00 0.80 0.00 0.00 33.01 33.70 2ju8 s GLN 12 CO -0.01 -0.11 0.20 -1.83 -0.50 0.00 0.00 175.29 173.04 2ju8 s GLU 13 N 0.80 3.59 -0.24 1.67 -1.05 -1.26 -4.76 118.70 117.45 2ju8 s GLU 13 Ca -0.06 -0.00 -0.06 0.00 -0.15 0.00 0.00 54.97 54.70 2ju8 s GLU 13 Cb -0.08 -3.21 0.02 0.00 -0.44 0.00 0.00 34.13 30.43 2ju8 s GLU 13 CO -0.04 0.74 0.11 0.09 0.95 0.00 0.00 175.26 177.10 2ju8 n ASN 14 N 2.01 -4.64 0.00 0.83 4.13 -1.26 -4.42 115.26 111.91 2ju8 n ASN 14 Ca -0.18 1.37 0.00 0.00 1.68 0.00 0.00 54.58 57.45 2ju8 n ASN 14 Cb 0.54 -5.15 0.00 0.00 -1.54 0.00 0.00 39.78 33.64 2ju8 n ASN 14 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2ju8 n PHE 15 N 1.21 0.00 -0.15 3.10 -0.00 -1.26 -4.62 117.46 115.73 2ju8 n PHE 15 Ca -0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.23 2ju8 n PHE 15 Cb 0.31 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 39.84 2ju8 n PHE 15 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2ju8 h GLU 16 N 0.00 0.13 -0.44 -4.13 4.39 -1.99 0.11 114.58 112.65 2ju8 h GLU 16 Ca 0.00 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2ju8 h GLU 16 Cb 0.86 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2ju8 h GLU 16 CO 0.00 0.09 -0.27 -1.00 -1.16 0.00 0.00 179.01 176.67 2ju8 h PRO 17 N 0.13 0.97 0.07 2.33 0.13 -2.00 -2.75 132.00 130.88 2ju8 h PRO 17 Ca 0.23 -0.45 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2ju8 h PRO 17 Cb 0.34 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.45 2ju8 h PRO 17 CO -0.37 1.11 -0.03 0.35 -0.23 0.00 0.00 178.00 178.83 2ju8 h PHE 18 N 0.81 -0.09 -0.89 1.56 3.57 -1.72 -2.24 116.94 117.94 2ju8 h PHE 18 Ca 0.09 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2ju8 h PHE 18 Cb 0.85 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 2ju8 h PHE 18 CO 0.06 0.15 0.58 0.00 -2.23 0.00 0.00 178.31 176.87 2ju8 h MET 19 N -0.32 1.01 -0.60 1.11 -0.00 -0.85 -1.84 114.93 113.43 2ju8 h MET 19 Ca -0.01 -0.06 -0.08 0.00 -0.00 0.00 0.00 59.70 59.55 2ju8 h MET 19 Cb 0.28 -0.23 -0.02 0.00 -0.00 0.00 0.00 31.60 31.63 2ju8 h MET 19 CO 0.02 0.67 0.07 0.87 -0.00 0.00 0.00 176.91 178.53 2ju8 h LYS 20 N 1.04 1.02 0.00 -0.10 1.57 -1.38 0.27 116.57 118.98 2ju8 h LYS 20 Ca 0.37 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2ju8 h LYS 20 Cb 0.13 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2ju8 h LYS 20 CO -0.13 0.97 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 2ju8 n ALA 21 N -2.45 1.65 -0.56 3.86 0.00 -0.75 -4.13 120.51 118.13 2ju8 n ALA 21 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2ju8 n ALA 21 Cb 0.30 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2ju8 n ALA 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2ju8 n MET 22 N -1.96 0.00 0.00 0.00 0.00 -0.80 -5.04 117.12 109.32 2ju8 n MET 22 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.73 2ju8 n MET 22 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 33.22 33.25 2ju8 n MET 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ju8 n GLY 23 N 2.46 0.00 3.64 -5.12 0.00 0.85 -5.10 105.19 101.93 2ju8 n GLY 23 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ju8 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ju8 s LEU 24 N 0.00 4.05 0.21 0.99 1.98 -0.64 -5.01 118.68 120.25 2ju8 s LEU 24 Ca 0.00 1.01 -0.30 0.00 -2.89 0.00 0.00 54.13 51.94 2ju8 s LEU 24 Cb 0.00 -3.32 -0.10 0.00 0.66 0.00 0.00 46.19 43.43 2ju8 s LEU 24 CO 0.00 -0.67 1.43 -2.16 -1.89 0.00 0.00 176.35 173.06 2ju8 s PRO 25 N 3.16 4.29 0.51 0.98 0.04 -1.26 -4.30 135.00 138.42 2ju8 s PRO 25 Ca 0.39 2.24 0.29 0.00 0.04 0.00 0.00 61.00 63.95 2ju8 s PRO 25 Cb -0.14 -3.15 1.40 0.00 0.04 0.00 0.00 34.50 32.65 2ju8 s PRO 25 CO 0.11 -0.43 1.87 1.05 0.04 0.00 0.00 177.00 179.64 2ju8 h GLU 26 N 5.67 0.09 -0.64 4.56 -0.00 -1.95 0.15 114.58 122.45 2ju8 h GLU 26 Ca -0.45 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 58.88 2ju8 h GLU 26 Cb 1.21 -0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 29.92 2ju8 h GLU 26 CO 0.81 0.06 0.27 0.38 -0.00 0.00 0.00 179.01 180.53 2ju8 h ASP 27 N 0.09 0.87 -0.42 3.06 3.04 -2.01 -2.40 116.42 118.65 2ju8 h ASP 27 Ca 0.46 -0.16 -0.13 0.00 -3.24 0.00 0.00 57.03 53.95 2ju8 h ASP 27 Cb 1.66 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 39.72 2ju8 h ASP 27 CO -0.05 0.79 -0.24 0.25 -2.04 0.00 0.00 179.24 177.95 2ju8 h LEU 28 N 0.89 0.96 -0.88 0.15 6.46 -1.35 -3.12 115.31 118.43 2ju8 h LEU 28 Ca 0.22 -0.37 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 2ju8 h LEU 28 Cb 0.18 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 2ju8 h LEU 28 CO -0.02 1.15 0.57 0.40 -0.62 0.00 0.00 178.44 179.92 2ju8 h ILE 29 N 0.80 1.23 -0.52 4.05 5.03 -1.25 -1.60 117.51 125.25 2ju8 h ILE 29 Ca 0.10 -0.43 0.08 0.00 -0.12 0.00 0.00 64.86 64.50 2ju8 h ILE 29 Cb 0.80 -0.06 -0.07 0.00 -3.03 0.00 0.00 36.82 34.47 2ju8 h ILE 29 CO 0.07 0.22 0.13 1.56 -0.68 0.00 0.00 178.15 179.45 2ju8 h GLN 30 N 1.19 0.27 -0.09 2.37 1.08 -1.37 0.13 115.11 118.71 2ju8 h GLN 30 Ca 0.32 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.40 2ju8 h GLN 30 Cb -0.12 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 2ju8 h GLN 30 CO -0.07 0.18 -0.43 0.87 -0.95 0.00 0.00 178.83 178.44 2ju8 h LYS 31 N 0.28 0.19 0.22 1.46 6.56 -1.52 -3.08 116.57 120.68 2ju8 h LYS 31 Ca 0.26 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2ju8 h LYS 31 Cb 0.33 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2ju8 h LYS 31 CO -0.31 0.59 -0.10 0.78 -2.06 0.00 0.00 179.45 178.35 2ju8 h GLY 32 N 1.26 -0.31 1.15 3.86 0.00 -0.10 -3.15 103.07 105.78 2ju8 h GLY 32 Ca 0.01 0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.56 2ju8 h GLY 32 CO 0.06 -0.11 0.33 0.07 0.00 0.00 0.00 176.54 176.89 2ju8 h LYS 33 N -0.71 0.15 0.00 4.80 2.10 -0.87 0.11 116.57 122.15 2ju8 h LYS 33 Ca -0.03 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 2ju8 h LYS 33 Cb 0.49 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2ju8 h LYS 33 CO 0.05 0.10 -0.21 0.22 -2.00 0.00 0.00 179.45 177.60 2ju8 h ASP 34 N 0.15 0.00 -3.47 7.07 3.58 -1.50 -3.40 116.42 118.86 2ju8 h ASP 34 Ca 0.22 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 57.00 2ju8 h ASP 34 Cb 0.68 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.43 2ju8 h ASP 34 CO -0.03 0.21 -0.72 -0.63 -2.88 0.00 0.00 179.24 175.19 2ju8 s ILE 35 N -4.19 3.18 0.13 2.25 1.01 0.38 -5.08 121.20 118.89 2ju8 s ILE 35 Ca -0.03 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 2ju8 s ILE 35 Cb 0.13 -2.55 -0.10 0.00 0.01 0.00 0.00 42.46 39.95 2ju8 s ILE 35 CO 0.64 0.27 1.83 -0.54 0.00 0.00 0.00 174.94 177.15 2ju8 s LYS 36 N 1.40 4.13 0.69 2.79 1.02 -1.26 -4.86 119.74 123.66 2ju8 s LYS 36 Ca 0.03 2.60 -0.15 0.00 0.02 0.00 0.00 55.97 58.47 2ju8 s LYS 36 Cb -0.16 -3.58 0.02 0.00 -0.52 0.00 0.00 37.83 33.59 2ju8 s LYS 36 CO -0.03 -0.84 1.14 0.20 -0.92 0.00 0.00 175.35 174.89 2ju8 s GLY 37 N 2.69 2.17 -0.07 -3.33 0.00 -1.26 -4.83 107.32 102.69 2ju8 s GLY 37 Ca 0.81 0.63 0.05 0.00 0.00 0.00 0.00 44.72 46.21 2ju8 s GLY 37 CO 0.36 1.00 -0.22 0.14 0.00 0.00 0.00 173.10 174.38 2ju8 s VAL 38 N -2.27 1.82 0.02 1.40 1.01 -1.19 -0.99 120.40 120.19 2ju8 s VAL 38 Ca 0.69 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2ju8 s VAL 38 Cb -0.23 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2ju8 s VAL 38 CO 0.44 0.51 -0.08 -0.94 0.00 0.00 0.00 175.10 175.03 2ju8 s SER 39 N 0.09 0.87 0.00 3.32 1.04 -0.40 -2.01 113.70 116.62 2ju8 s SER 39 Ca -0.09 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2ju8 s SER 39 Cb -0.14 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2ju8 s SER 39 CO 0.05 -0.05 -0.07 -0.70 0.98 0.00 0.00 173.24 173.44 2ju8 s GLU 40 N -0.88 0.56 -0.18 4.02 2.12 -0.46 -0.40 118.70 123.48 2ju8 s GLU 40 Ca -0.03 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 54.97 2ju8 s GLU 40 Cb -0.06 -0.51 0.03 0.00 0.26 0.00 0.00 34.13 33.85 2ju8 s GLU 40 CO 0.00 0.13 -0.15 0.42 -0.54 0.00 0.00 175.26 175.12 2ju8 s ILE 41 N -0.37 1.84 -0.29 -3.70 -1.09 -0.31 -2.56 121.20 114.72 2ju8 s ILE 41 Ca 0.01 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 57.42 2ju8 s ILE 41 Cb -0.04 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.09 2ju8 s ILE 41 CO -0.00 0.37 0.06 -0.69 -1.23 0.00 0.00 174.94 173.45 2ju8 s VAL 42 N 1.35 3.75 -0.31 2.92 1.01 -1.02 -2.53 120.40 125.58 2ju8 s VAL 42 Ca 0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2ju8 s VAL 42 Cb -0.14 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2ju8 s VAL 42 CO -0.10 0.08 0.14 -2.28 0.00 0.00 0.00 175.10 172.94 2ju8 s HIS 43 N 1.46 3.17 -0.22 5.22 2.46 -1.26 -1.20 115.29 124.92 2ju8 s HIS 43 Ca 0.02 -0.63 -0.04 0.00 0.47 0.00 0.00 55.06 54.88 2ju8 s HIS 43 Cb -0.17 -2.33 0.07 0.00 -0.13 0.00 0.00 32.58 30.02 2ju8 s HIS 43 CO 0.01 -0.47 0.09 -2.00 -2.47 0.00 0.00 174.74 169.90 2ju8 s GLU 44 N 1.59 0.26 -1.05 2.88 2.56 -0.24 -4.94 118.70 119.76 2ju8 s GLU 44 Ca 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 54.97 54.51 2ju8 s GLU 44 Cb -0.17 -1.70 -0.01 0.00 2.00 0.00 0.00 34.13 34.25 2ju8 s GLU 44 CO 0.05 -0.79 0.77 0.41 -0.56 0.00 0.00 175.26 175.15 2ju8 n GLY 45 N 5.20 -1.07 4.48 -1.50 0.00 -1.26 -1.20 105.19 109.84 2ju8 n GLY 45 Ca -0.07 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2ju8 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ju8 n LYS 46 N -3.69 0.00 -3.08 1.61 5.02 -1.26 -4.90 118.16 111.86 2ju8 n LYS 46 Ca -0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 2ju8 n LYS 46 Cb 0.59 -2.58 -0.06 0.00 -0.02 0.00 0.00 35.03 32.96 2ju8 n LYS 46 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ju8 s LYS 47 N 0.00 3.25 -0.17 1.97 1.02 -0.34 -1.94 119.74 123.52 2ju8 s LYS 47 Ca 0.00 -0.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 2ju8 s LYS 47 Cb 0.00 -4.00 -0.02 0.00 -0.52 0.00 0.00 37.83 33.28 2ju8 s LYS 47 CO 0.00 -1.14 -0.03 0.08 -0.92 0.00 0.00 175.35 173.35 2ju8 s VAL 48 N 2.95 3.86 -0.12 3.17 1.01 -0.54 -1.08 120.40 129.64 2ju8 s VAL 48 Ca 0.22 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2ju8 s VAL 48 Cb -0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2ju8 s VAL 48 CO 0.17 0.47 0.08 -0.54 0.00 0.00 0.00 175.10 175.28 2ju8 s LYS 49 N 0.65 3.40 -0.19 2.72 1.02 -0.34 -2.07 119.74 124.93 2ju8 s LYS 49 Ca -0.02 -0.27 -0.04 0.00 0.02 0.00 0.00 55.97 55.67 2ju8 s LYS 49 Cb -0.14 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2ju8 s LYS 49 CO 0.02 0.65 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.89 2ju8 s LEU 50 N -0.69 3.00 -0.11 3.17 2.96 -0.36 -2.43 118.68 124.21 2ju8 s LEU 50 Ca 0.12 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2ju8 s LEU 50 Cb -0.12 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2ju8 s LEU 50 CO 0.02 0.05 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.04 2ju8 s THR 51 N 1.06 1.71 -0.05 3.68 2.01 -1.06 -1.20 115.64 121.78 2ju8 s THR 51 Ca 0.01 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.25 2ju8 s THR 51 Cb -0.15 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.85 2ju8 s THR 51 CO 0.00 0.48 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.70 2ju8 s ILE 52 N 0.83 0.85 -0.10 1.82 1.01 -0.16 -1.35 121.20 124.10 2ju8 s ILE 52 Ca -0.09 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2ju8 s ILE 52 Cb -0.16 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.51 2ju8 s ILE 52 CO 0.00 0.29 -0.24 -0.89 0.00 0.00 0.00 174.94 174.10 2ju8 s THR 53 N 0.72 2.06 -0.26 2.92 2.01 -0.85 -0.51 115.64 121.72 2ju8 s THR 53 Ca -0.13 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.88 2ju8 s THR 53 Cb -0.15 -1.78 0.06 0.00 0.01 0.00 0.00 72.50 70.65 2ju8 s THR 53 CO 0.02 0.56 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.12 2ju8 s TYR 54 N 0.35 3.06 0.00 4.92 2.02 -0.42 -3.18 117.35 124.10 2ju8 s TYR 54 Ca -0.19 -2.23 0.00 0.00 -0.37 0.00 0.00 57.07 54.28 2ju8 s TYR 54 Cb -0.18 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 2ju8 s TYR 54 CO 0.09 -0.86 0.00 0.41 -1.57 0.00 0.00 175.55 173.62 2ju8 n GLY 55 N 4.48 1.08 0.16 0.71 0.00 -1.26 -1.58 105.19 108.78 2ju8 n GLY 55 Ca -0.12 0.45 0.01 0.00 0.00 0.00 0.00 46.02 46.36 2ju8 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ju8 n SER 56 N 3.44 0.39 -4.38 1.61 3.41 -1.26 -5.05 113.62 111.77 2ju8 n SER 56 Ca 0.00 -1.57 -0.35 0.00 -0.26 0.00 0.00 58.87 56.69 2ju8 n SER 56 Cb 0.00 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 63.73 2ju8 n SER 56 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ju8 s LYS 57 N -0.31 3.52 -0.22 4.33 2.20 -0.62 -5.09 119.74 123.55 2ju8 s LYS 57 Ca 0.02 -0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 54.96 2ju8 s LYS 57 Cb 0.02 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.19 2ju8 s LYS 57 CO 0.00 -0.13 0.19 0.54 -0.36 0.00 0.00 175.35 175.59 2ju8 s VAL 58 N 1.35 5.35 -0.24 4.02 0.11 -1.26 -1.30 120.40 128.44 2ju8 s VAL 58 Ca 0.04 0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 2ju8 s VAL 58 Cb -0.15 -3.53 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 2ju8 s VAL 58 CO 0.00 0.36 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.42 2ju8 s ILE 59 N 0.86 2.81 -0.11 7.04 -1.09 0.33 -5.00 121.20 126.03 2ju8 s ILE 59 Ca 0.10 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 2ju8 s ILE 59 Cb -0.13 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.36 2ju8 s ILE 59 CO 0.03 0.27 -0.18 -1.38 -1.23 0.00 0.00 174.94 172.45 2ju8 s HIS 60 N 1.33 2.69 0.08 3.97 -3.43 -1.26 -0.98 115.29 117.69 2ju8 s HIS 60 Ca 0.01 -0.84 -0.00 0.00 -0.80 0.00 0.00 55.06 53.43 2ju8 s HIS 60 Cb -0.16 -1.78 -0.04 0.00 -1.43 0.00 0.00 32.58 29.17 2ju8 s HIS 60 CO -0.06 -0.31 -0.02 -0.80 -2.00 0.00 0.00 174.74 171.55 2ju8 s ASN 61 N 0.34 0.64 -0.04 7.38 0.02 -0.34 -5.02 114.94 117.91 2ju8 s ASN 61 Ca -0.15 -1.05 -0.04 0.00 -1.02 0.00 0.00 52.86 50.60 2ju8 s ASN 61 Cb -0.17 0.19 0.01 0.00 0.02 0.00 0.00 41.25 41.30 2ju8 s ASN 61 CO 0.07 -0.59 0.13 -1.83 0.02 0.00 0.00 177.10 174.90 2ju8 s GLU 62 N -3.92 0.16 -0.06 -0.60 -1.05 -1.26 -1.22 118.70 110.74 2ju8 s GLU 62 Ca 0.12 0.14 -0.12 0.00 -0.15 0.00 0.00 54.97 54.96 2ju8 s GLU 62 Cb 0.07 0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.87 2ju8 s GLU 62 CO -0.06 -0.02 0.30 -0.59 0.95 0.00 0.00 175.26 175.83 2ju8 s PHE 63 N -0.01 -0.24 -0.17 4.83 -0.12 -0.88 -4.94 117.98 116.46 2ju8 s PHE 63 Ca -0.01 0.50 -0.06 0.00 -0.05 0.00 0.00 56.93 57.31 2ju8 s PHE 63 Cb -0.01 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 2ju8 s PHE 63 CO 0.00 -0.27 0.04 0.99 -0.05 0.00 0.00 175.22 175.93 2ju8 s THR 64 N -0.62 4.63 0.33 -4.49 2.01 -1.26 -1.46 115.64 114.78 2ju8 s THR 64 Ca -0.07 -0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 2ju8 s THR 64 Cb -0.04 -3.07 -0.12 0.00 0.01 0.00 0.00 72.50 69.28 2ju8 s THR 64 CO 0.02 0.48 1.30 0.18 -0.69 0.00 0.00 174.62 175.91 2ju8 n LEU 65 N 3.36 3.49 -2.22 4.42 4.77 -0.82 -1.53 117.00 128.47 2ju8 n LEU 65 Ca -0.17 1.20 -0.18 0.00 -0.03 0.00 0.00 56.01 56.84 2ju8 n LEU 65 Cb 0.52 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 2ju8 n LEU 65 CO 0.34 -0.49 -0.21 0.61 -1.33 0.00 0.00 177.39 176.31 2ju8 n GLY 66 N 0.92 -0.03 2.92 -0.72 0.00 0.10 -4.96 105.19 103.42 2ju8 n GLY 66 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2ju8 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ju8 s GLU 67 N -4.71 0.06 -0.24 1.61 0.41 -0.58 -5.00 118.70 110.25 2ju8 s GLU 67 Ca 0.00 0.12 -0.23 0.00 -0.41 0.00 0.00 54.97 54.45 2ju8 s GLU 67 Cb 0.00 -0.01 -0.01 0.00 -1.78 0.00 0.00 34.13 32.33 2ju8 s GLU 67 CO 0.00 -0.04 0.76 -2.00 -0.49 0.00 0.00 175.26 173.49 2ju8 s GLU 68 N 0.23 4.17 0.23 1.61 2.12 -1.26 -3.48 118.70 122.32 2ju8 s GLU 68 Ca -0.02 0.81 0.10 0.00 0.36 0.00 0.00 54.97 56.22 2ju8 s GLU 68 Cb -0.03 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 2ju8 s GLU 68 CO -0.01 -0.45 -0.11 0.00 -0.54 0.00 0.00 175.26 174.15 2ju8 s GLU 70 N -3.21 4.07 0.03 0.00 2.56 -1.26 -1.79 118.70 119.09 2ju8 s GLU 70 Ca 0.27 0.02 0.08 0.00 0.00 0.00 0.00 54.97 55.34 2ju8 s GLU 70 Cb -0.07 -3.60 -0.03 0.00 2.00 0.00 0.00 34.13 32.43 2ju8 s GLU 70 CO 0.16 -0.15 -0.21 -1.17 -0.56 0.00 0.00 175.26 173.33 2ju8 s LEU 71 N 1.66 2.41 -0.21 2.70 0.20 -0.70 -4.97 118.68 119.76 2ju8 s LEU 71 Ca 0.15 -0.46 -0.23 0.00 0.69 0.00 0.00 54.13 54.27 2ju8 s LEU 71 Cb -0.15 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.17 2ju8 s LEU 71 CO 0.09 0.27 0.76 -0.70 -0.29 0.00 0.00 176.35 176.48 2ju8 s GLU 72 N -1.19 4.21 0.57 1.98 2.12 -1.26 -1.06 118.70 124.06 2ju8 s GLU 72 Ca 0.13 0.84 -0.05 0.00 0.36 0.00 0.00 54.97 56.25 2ju8 s GLU 72 Cb -0.10 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.68 2ju8 s GLU 72 CO 0.03 -0.38 0.86 0.99 -0.54 0.00 0.00 175.26 176.21 2ju8 s THR 73 N 2.38 3.72 0.24 -1.70 2.01 -1.00 -4.97 115.64 116.32 2ju8 s THR 73 Ca 0.33 -0.08 0.24 0.00 0.31 0.00 0.00 61.69 62.50 2ju8 s THR 73 Cb -0.16 -3.46 0.24 0.00 0.01 0.00 0.00 72.50 69.13 2ju8 s THR 73 CO 0.10 -0.45 1.90 -0.03 -0.69 0.00 0.00 174.62 175.44 2ju8 h MET 74 N -0.07 0.00 0.00 4.92 4.05 -1.97 -2.47 114.93 119.39 2ju8 h MET 74 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2ju8 h MET 74 Cb 1.25 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2ju8 h MET 74 CO 0.60 0.21 0.00 0.25 0.23 0.00 0.00 176.91 178.20 2ju8 n THR 75 N -3.50 1.07 0.00 -0.77 -2.24 -1.26 -4.84 114.28 102.73 2ju8 n THR 75 Ca -0.01 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2ju8 n THR 75 Cb 0.38 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2ju8 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ju8 n GLY 76 N -0.54 3.39 3.88 3.38 0.00 -0.93 -5.06 105.19 109.32 2ju8 n GLY 76 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2ju8 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju8 s GLU 77 N -0.89 3.63 0.18 1.61 2.12 -1.26 -4.84 118.70 119.25 2ju8 s GLU 77 Ca 0.00 -0.02 -0.23 0.00 0.36 0.00 0.00 54.97 55.07 2ju8 s GLU 77 Cb 0.00 -3.03 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 2ju8 s GLU 77 CO 0.00 0.60 0.76 -1.59 -0.54 0.00 0.00 175.26 174.49 2ju8 s LYS 78 N -1.94 4.46 -0.05 4.30 0.00 -1.26 -2.37 119.74 122.89 2ju8 s LYS 78 Ca 0.31 1.06 0.03 0.00 0.00 0.00 0.00 55.97 57.37 2ju8 s LYS 78 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 37.83 34.56 2ju8 s LYS 78 CO 0.18 0.52 -0.14 0.14 0.00 0.00 0.00 175.35 176.04 2ju8 s VAL 79 N -1.27 1.24 -0.00 1.79 -7.23 -0.22 -4.94 120.40 109.77 2ju8 s VAL 79 Ca 0.38 -0.60 -0.18 0.00 -1.81 0.00 0.00 61.98 59.77 2ju8 s VAL 79 Cb -0.21 -1.09 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 2ju8 s VAL 79 CO 0.24 0.37 0.51 -1.59 -0.31 0.00 0.00 175.10 174.32 2ju8 s LYS 80 N 0.22 4.18 -0.07 4.82 -2.85 -1.26 -1.73 119.74 123.06 2ju8 s LYS 80 Ca -0.06 0.59 -0.09 0.00 -1.00 0.00 0.00 55.97 55.41 2ju8 s LYS 80 Cb -0.12 -3.30 0.02 0.00 -2.06 0.00 0.00 37.83 32.37 2ju8 s LYS 80 CO 0.02 0.49 0.22 0.00 0.10 0.00 0.00 175.35 176.19 2ju8 s ALA 81 N -0.52 -0.55 -0.20 0.59 0.00 -0.74 -4.21 121.76 116.12 2ju8 s ALA 81 Ca 0.27 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 2ju8 s ALA 81 Cb -0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2ju8 s ALA 81 CO 0.15 -0.14 -0.03 0.54 0.00 0.00 0.00 175.76 176.28 2ju8 s VAL 82 N -0.25 3.65 -0.13 0.00 0.11 -1.15 -1.03 120.40 121.60 2ju8 s VAL 82 Ca -0.04 -0.41 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 2ju8 s VAL 82 Cb -0.03 -2.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2ju8 s VAL 82 CO 0.01 0.43 -0.03 0.54 -3.33 0.00 0.00 175.10 172.72 2ju8 s VAL 83 N 1.12 3.98 0.08 2.04 0.11 -1.23 -2.91 120.40 123.59 2ju8 s VAL 83 Ca 0.02 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2ju8 s VAL 83 Cb -0.15 -2.71 -0.03 0.00 -1.53 0.00 0.00 36.38 31.96 2ju8 s VAL 83 CO 0.00 0.53 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.64 2ju8 s LYS 84 N -0.04 0.81 -0.05 1.54 1.02 -0.67 0.02 119.74 122.37 2ju8 s LYS 84 Ca 0.02 -1.02 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 2ju8 s LYS 84 Cb -0.13 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.46 2ju8 s LYS 84 CO 0.02 0.13 0.02 0.00 -0.92 0.00 0.00 175.35 174.61 2ju8 s MET 85 N -2.13 2.97 -0.00 1.68 0.23 -1.26 -2.25 119.30 118.53 2ju8 s MET 85 Ca 0.00 -0.46 0.19 0.00 -1.03 0.00 0.00 55.69 54.39 2ju8 s MET 85 Cb -0.07 -2.79 -0.22 0.00 -1.53 0.00 0.00 34.83 30.21 2ju8 s MET 85 CO 0.01 0.68 0.73 -1.91 -2.03 0.00 0.00 175.02 172.50 2ju8 n GLU 86 N 1.76 0.76 0.00 3.16 4.07 -1.02 -4.93 120.64 124.43 2ju8 n GLU 86 Ca -0.17 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 2ju8 n GLU 86 Cb 0.53 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 2ju8 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ju8 n GLY 87 N 1.44 0.38 3.68 8.31 0.00 -1.17 -4.91 105.19 112.92 2ju8 n GLY 87 Ca 0.02 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 2ju8 n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ju8 s ASP 88 N -4.00 6.02 0.00 1.61 1.01 -1.26 -4.30 116.67 115.75 2ju8 s ASP 88 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.41 2ju8 s ASP 88 Cb 0.00 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 41.87 2ju8 s ASP 88 CO 0.00 0.14 0.00 0.59 0.21 0.00 0.00 175.17 176.11 2ju8 n ASN 89 N 3.76 0.00 -3.95 0.27 4.13 -0.18 -4.89 115.26 114.41 2ju8 n ASN 89 Ca -0.16 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.88 2ju8 n ASN 89 Cb 0.52 -0.03 -0.17 0.00 -1.54 0.00 0.00 39.78 38.56 2ju8 n ASN 89 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ju8 s LYS 90 N -0.00 1.26 -0.03 3.52 3.01 -1.26 -2.82 119.74 123.42 2ju8 s LYS 90 Ca 0.00 -0.24 -0.02 0.00 -1.01 0.00 0.00 55.97 54.70 2ju8 s LYS 90 Cb 0.00 -1.15 0.01 0.00 -1.01 0.00 0.00 37.83 35.69 2ju8 s LYS 90 CO 0.00 -0.05 0.07 -1.64 0.51 0.00 0.00 175.35 174.23 2ju8 s MET 91 N 0.90 0.05 -0.10 1.68 -1.94 -0.44 -2.43 119.30 117.01 2ju8 s MET 91 Ca -0.11 0.14 -0.00 0.00 -1.71 0.00 0.00 55.69 54.01 2ju8 s MET 91 Cb -0.15 -0.04 0.02 0.00 2.01 0.00 0.00 34.83 36.67 2ju8 s MET 91 CO 0.01 -0.06 -0.08 0.54 -0.01 0.00 0.00 175.02 175.42 2ju8 s VAL 92 N 0.36 1.01 -0.02 -6.03 0.11 -0.95 -2.47 120.40 112.41 2ju8 s VAL 92 Ca -0.03 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2ju8 s VAL 92 Cb -0.04 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2ju8 s VAL 92 CO -0.01 0.36 -0.07 0.28 -3.33 0.00 0.00 175.10 172.32 2ju8 s THR 93 N 1.57 0.66 -0.08 5.04 -1.32 -1.01 -1.67 115.64 118.83 2ju8 s THR 93 Ca 0.02 -0.29 0.03 0.00 -1.21 0.00 0.00 61.69 60.24 2ju8 s THR 93 Cb -0.13 -0.60 0.01 0.00 -1.51 0.00 0.00 72.50 70.27 2ju8 s THR 93 CO -0.07 0.22 -0.17 0.42 -2.21 0.00 0.00 174.62 172.81 2ju8 s THR 94 N 0.25 1.51 -0.03 5.08 -4.23 -1.15 -2.71 115.64 114.35 2ju8 s THR 94 Ca -0.03 -0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2ju8 s THR 94 Cb -0.08 -1.34 0.03 0.00 1.34 0.00 0.00 72.50 72.44 2ju8 s THR 94 CO 0.00 0.44 0.02 0.72 -0.54 0.00 0.00 174.62 175.26 2ju8 s PHE 95 N 0.61 0.19 0.00 3.99 -0.71 -1.22 -2.93 117.98 117.92 2ju8 s PHE 95 Ca -0.15 0.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 2ju8 s PHE 95 Cb -0.16 -0.39 0.00 0.00 -1.21 0.00 0.00 43.02 41.26 2ju8 s PHE 95 CO 0.05 -0.14 0.00 1.17 -1.34 0.00 0.00 175.22 174.96 2ju8 n LYS 96 N 4.43 0.00 0.00 1.99 4.81 -1.26 -1.69 118.16 126.44 2ju8 n LYS 96 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 2ju8 n LYS 96 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 2ju8 n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ju8 n GLY 97 N 0.00 0.60 3.82 3.14 0.00 -1.26 -5.12 105.19 106.37 2ju8 n GLY 97 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2ju8 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ju8 s ILE 98 N 0.00 5.31 -0.26 -0.61 1.01 -0.68 -5.05 121.20 120.93 2ju8 s ILE 98 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 2ju8 s ILE 98 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2ju8 s ILE 98 CO 0.00 0.58 0.27 -0.75 0.00 0.00 0.00 174.94 175.04 2ju8 s LYS 99 N -0.71 4.02 -0.17 2.79 2.20 -1.25 -3.38 119.74 123.23 2ju8 s LYS 99 Ca 0.13 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2ju8 s LYS 99 Cb -0.12 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 2ju8 s LYS 99 CO 0.03 -0.15 -0.20 -1.12 -0.36 0.00 0.00 175.35 173.55 2ju8 s SER 100 N 1.49 3.09 -0.15 1.43 0.01 -1.10 -2.95 113.70 115.52 2ju8 s SER 100 Ca 0.11 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.76 2ju8 s SER 100 Cb -0.15 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.64 2ju8 s SER 100 CO 0.09 0.00 -0.20 -0.69 0.41 0.00 0.00 173.24 172.86 2ju8 s VAL 101 N 1.26 1.94 -0.12 3.43 1.01 -0.61 -2.42 120.40 124.88 2ju8 s VAL 101 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2ju8 s VAL 101 Cb -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2ju8 s VAL 101 CO -0.12 0.52 -0.13 -0.89 0.00 0.00 0.00 175.10 174.48 2ju8 s THR 102 N 1.10 3.03 -0.25 3.92 2.01 -1.03 -1.15 115.64 123.26 2ju8 s THR 102 Ca -0.01 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 2ju8 s THR 102 Cb -0.14 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2ju8 s THR 102 CO -0.07 0.53 0.34 -0.70 -0.69 0.00 0.00 174.62 174.02 2ju8 s GLU 103 N 0.28 4.05 -0.32 4.92 2.12 -0.66 -1.33 118.70 127.76 2ju8 s GLU 103 Ca -0.10 0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.12 2ju8 s GLU 103 Cb -0.16 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 2ju8 s GLU 103 CO 0.06 -0.17 0.20 0.12 -0.54 0.00 0.00 175.26 174.93 2ju8 s PHE 104 N 1.75 3.21 0.15 5.30 5.36 -1.13 -2.84 117.98 129.77 2ju8 s PHE 104 Ca 0.14 -0.28 0.08 0.00 -0.96 0.00 0.00 56.93 55.91 2ju8 s PHE 104 Cb -0.15 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.06 2ju8 s PHE 104 CO 0.09 -0.36 -0.18 -0.80 -1.46 0.00 0.00 175.22 172.51 2ju8 s ASN 105 N 1.69 2.55 0.00 6.13 0.02 -1.21 -1.02 114.94 123.11 2ju8 s ASN 105 Ca 0.06 -0.82 0.00 0.00 -1.02 0.00 0.00 52.86 51.08 2ju8 s ASN 105 Cb -0.17 -0.14 0.00 0.00 0.02 0.00 0.00 41.25 40.96 2ju8 s ASN 105 CO 0.09 -0.03 1.55 0.61 0.02 0.00 0.00 177.10 179.33 2ju8 n GLY 106 N 0.47 2.18 0.00 0.66 0.00 -1.26 -3.72 105.19 103.52 2ju8 n GLY 106 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2ju8 n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ju8 n ASP 107 N 1.22 0.00 -3.74 1.61 5.68 -1.26 -5.04 116.55 115.02 2ju8 n ASP 107 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.13 2ju8 n ASP 107 Cb 0.46 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.28 2ju8 n ASP 107 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2ju8 s THR 108 N -0.82 -0.08 -0.14 2.12 2.01 -1.24 -1.65 115.64 115.83 2ju8 s THR 108 Ca 0.00 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 2ju8 s THR 108 Cb 0.00 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 2ju8 s THR 108 CO 0.00 0.11 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.31 2ju8 s ILE 109 N 1.42 3.33 -0.04 1.82 1.09 -1.01 -3.35 121.20 124.45 2ju8 s ILE 109 Ca -0.05 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 58.99 2ju8 s ILE 109 Cb -0.13 -2.42 -0.02 0.00 -1.06 0.00 0.00 42.46 38.83 2ju8 s ILE 109 CO -0.04 0.51 -0.17 -0.89 -0.10 0.00 0.00 174.94 174.26 2ju8 s THR 110 N 0.40 2.87 -0.11 2.92 2.01 -1.13 -2.80 115.64 119.79 2ju8 s THR 110 Ca -0.08 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2ju8 s THR 110 Cb -0.15 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 2ju8 s THR 110 CO 0.04 0.59 -0.13 0.21 -0.69 0.00 0.00 174.62 174.64 2ju8 s ASN 111 N -0.71 4.03 -0.21 3.53 2.47 -1.15 -1.65 114.94 121.24 2ju8 s ASN 111 Ca 0.11 -0.29 0.01 0.00 0.42 0.00 0.00 52.86 53.11 2ju8 s ASN 111 Cb -0.10 -1.44 0.03 0.00 -1.45 0.00 0.00 41.25 38.29 2ju8 s ASN 111 CO 0.00 0.21 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.55 2ju8 s THR 112 N 0.09 2.25 -0.14 -5.21 2.01 -0.30 -1.99 115.64 112.36 2ju8 s THR 112 Ca -0.06 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 60.86 2ju8 s THR 112 Cb -0.15 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.32 2ju8 s THR 112 CO 0.04 0.36 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.15 2ju8 s MET 113 N 1.26 2.29 -0.17 4.92 -1.94 -0.52 -1.58 119.30 123.56 2ju8 s MET 113 Ca 0.01 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 2ju8 s MET 113 Cb -0.15 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.65 2ju8 s MET 113 CO -0.10 -0.19 -0.20 0.99 -0.01 0.00 0.00 175.02 175.51 2ju8 s THR 114 N 1.37 2.14 -0.14 2.05 2.01 -1.15 -1.47 115.64 120.44 2ju8 s THR 114 Ca 0.02 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 2ju8 s THR 114 Cb -0.13 -1.89 0.07 0.00 0.01 0.00 0.00 72.50 70.56 2ju8 s THR 114 CO -0.08 0.54 0.18 -0.22 -0.69 0.00 0.00 174.62 174.34 2ju8 s LEU 115 N 1.11 -0.05 -0.76 4.42 2.96 -1.06 -3.91 118.68 121.39 2ju8 s LEU 115 Ca 0.00 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2ju8 s LEU 115 Cb -0.14 0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.83 2ju8 s LEU 115 CO -0.08 -0.28 0.65 0.61 -1.32 0.00 0.00 176.35 175.92 2ju8 n GLY 116 N 5.32 0.01 3.16 7.98 0.00 -1.26 -2.57 105.19 117.83 2ju8 n GLY 116 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ju8 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ju8 n ASP 117 N -1.75 -3.09 -4.78 1.61 9.92 -1.26 -4.96 116.55 112.24 2ju8 n ASP 117 Ca -0.09 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.79 2ju8 n ASP 117 Cb 0.57 -2.39 -0.06 0.00 -0.64 0.00 0.00 41.12 38.60 2ju8 n ASP 117 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ju8 s ILE 118 N -1.46 4.93 -0.14 0.53 1.01 -1.06 -5.07 121.20 119.94 2ju8 s ILE 118 Ca 0.00 1.13 -0.07 0.00 0.00 0.00 0.00 60.65 61.70 2ju8 s ILE 118 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2ju8 s ILE 118 CO 0.00 0.46 0.12 0.54 0.00 0.00 0.00 174.94 176.06 2ju8 s VAL 119 N -0.44 5.29 -0.10 2.92 0.11 -1.26 -2.56 120.40 124.36 2ju8 s VAL 119 Ca 0.28 0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.46 2ju8 s VAL 119 Cb -0.18 -3.33 0.03 0.00 -1.53 0.00 0.00 36.38 31.37 2ju8 s VAL 119 CO 0.16 0.56 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.99 2ju8 s TYR 120 N -0.58 1.11 -0.10 1.54 6.14 -0.55 -4.72 117.35 120.19 2ju8 s TYR 120 Ca 0.12 -0.51 0.00 0.00 0.64 0.00 0.00 57.07 57.33 2ju8 s TYR 120 Cb -0.12 -1.03 0.02 0.00 0.42 0.00 0.00 41.96 41.25 2ju8 s TYR 120 CO 0.02 -0.44 -0.09 0.21 0.64 0.00 0.00 175.55 175.89 2ju8 s LYS 121 N 1.83 1.63 -0.16 4.97 2.20 -1.26 -1.44 119.74 127.52 2ju8 s LYS 121 Ca 0.04 -0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.26 2ju8 s LYS 121 Cb -0.13 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.58 2ju8 s LYS 121 CO -0.07 -0.18 0.08 0.50 -0.36 0.00 0.00 175.35 175.32 2ju8 s ARG 122 N 1.39 3.81 -0.28 4.03 3.52 -0.84 -4.01 118.95 126.57 2ju8 s ARG 122 Ca -0.01 -0.30 -0.10 0.00 -0.13 0.00 0.00 55.73 55.19 2ju8 s ARG 122 Cb -0.13 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2ju8 s ARG 122 CO -0.05 0.40 0.15 0.08 -0.81 0.00 0.00 175.30 175.08 2ju8 s VAL 123 N 0.01 4.91 0.00 7.11 1.01 -1.19 -2.93 120.40 129.32 2ju8 s VAL 123 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2ju8 s VAL 123 Cb -0.12 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2ju8 s VAL 123 CO 0.01 0.24 -0.09 -0.44 0.00 0.00 0.00 175.10 174.81 2ju8 s SER 124 N 1.69 1.11 0.11 3.32 0.01 -1.12 -0.25 113.70 118.57 2ju8 s SER 124 Ca 0.06 -0.24 0.10 0.00 1.31 0.00 0.00 55.95 57.18 2ju8 s SER 124 Cb -0.16 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 2ju8 s SER 124 CO 0.08 0.07 -0.23 -1.59 0.41 0.00 0.00 173.24 171.98 2ju8 s LYS 125 N -0.47 1.65 -0.04 12.44 -2.85 -0.95 -2.41 119.74 127.11 2ju8 s LYS 125 Ca 0.02 -1.23 -0.28 0.00 -1.00 0.00 0.00 55.97 53.48 2ju8 s LYS 125 Cb -0.05 -2.02 -0.03 0.00 -2.06 0.00 0.00 37.83 33.68 2ju8 s LYS 125 CO -0.00 0.48 0.89 0.50 0.10 0.00 0.00 175.35 177.32 2ju8 s ARG 126 N -1.97 4.49 0.00 1.78 3.00 -0.66 -2.02 118.95 123.58 2ju8 s ARG 126 Ca 0.15 1.24 0.00 0.00 -1.00 0.00 0.00 55.73 56.12 2ju8 s ARG 126 Cb -0.10 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.37 2ju8 s ARG 126 CO 0.07 -0.06 0.00 0.44 0.00 0.00 0.00 175.30 175.75