#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 6.21 0.00 6.12 4.22 -1.26 -4.52 114.94 125.72 2ju8 s ASN 2 Ca 0.00 -0.87 0.00 0.00 -2.14 0.00 0.00 52.86 49.85 2ju8 s ASN 2 Cb 0.00 -2.48 0.00 0.00 1.28 0.00 0.00 41.25 40.05 2ju8 s ASN 2 CO 0.00 -1.58 0.00 0.49 -2.04 0.00 0.00 177.10 173.97 2ju8 n PHE 3 N 8.37 -0.48 -4.00 1.54 3.72 -1.26 -5.02 117.46 120.34 2ju8 n PHE 3 Ca 0.03 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.08 2ju8 n PHE 3 Cb 0.47 0.27 -0.09 0.00 -0.94 0.00 0.00 39.48 39.19 2ju8 n PHE 3 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ju8 s SER 4 N -3.21 5.68 0.14 4.37 0.15 -1.26 -4.69 113.70 114.88 2ju8 s SER 4 Ca 0.00 0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 2ju8 s SER 4 Cb 0.00 -1.96 0.08 0.00 -1.71 0.00 0.00 66.02 62.43 2ju8 s SER 4 CO 0.00 0.19 1.09 -0.83 1.20 0.00 0.00 173.24 174.89 2ju8 s GLY 5 N 0.26 0.00 -0.15 9.45 0.00 -1.07 -5.01 107.32 110.81 2ju8 s GLY 5 Ca 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.62 2ju8 s GLY 5 CO 0.00 2.51 -0.21 1.25 0.00 0.00 0.00 173.10 176.65 2ju8 s LYS 6 N -2.29 3.04 0.06 2.90 2.20 -1.26 -2.45 119.74 121.94 2ju8 s LYS 6 Ca 0.21 -0.84 0.07 0.00 -0.36 0.00 0.00 55.97 55.06 2ju8 s LYS 6 Cb -0.02 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 2ju8 s LYS 6 CO 0.03 -0.05 -0.19 0.71 -0.36 0.00 0.00 175.35 175.49 2ju8 s TYR 7 N 0.91 1.67 -0.12 4.03 2.02 -0.58 -2.69 117.35 122.58 2ju8 s TYR 7 Ca -0.05 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2ju8 s TYR 7 Cb -0.15 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 2ju8 s TYR 7 CO -0.04 0.11 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.73 2ju8 s GLN 8 N -1.37 3.21 0.03 -0.62 2.00 -0.78 -1.90 119.66 120.24 2ju8 s GLN 8 Ca 0.06 -0.78 -0.30 0.00 -2.00 0.00 0.00 55.36 52.34 2ju8 s GLN 8 Cb -0.09 -2.50 -0.06 0.00 0.80 0.00 0.00 33.01 31.16 2ju8 s GLN 8 CO 0.02 0.15 1.43 0.08 -0.50 0.00 0.00 175.29 176.47 2ju8 s VAL 9 N 0.46 3.56 -0.23 1.34 1.01 -0.43 -2.35 120.40 123.76 2ju8 s VAL 9 Ca -0.13 0.99 0.06 0.00 0.00 0.00 0.00 61.98 62.91 2ju8 s VAL 9 Cb -0.17 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.40 2ju8 s VAL 9 CO 0.05 0.01 -0.15 0.00 0.00 0.00 0.00 175.10 175.02 2ju8 n GLN 10 N 5.12 0.68 -3.55 2.72 6.02 0.10 -3.56 117.38 124.89 2ju8 n GLN 10 Ca 0.13 0.10 -0.08 0.00 -0.01 0.00 0.00 57.00 57.15 2ju8 n GLN 10 Cb 0.43 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.18 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 -6.13 -0.35 -0.08 1.08 0.15 -1.26 -4.97 113.70 102.14 2ju8 s SER 11 Ca -0.27 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 2ju8 s SER 11 Cb 0.08 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2ju8 s SER 11 CO 0.62 -0.74 0.20 -1.58 1.20 0.00 0.00 173.24 172.95 2ju8 s GLN 12 N -3.24 0.17 -0.09 5.44 -0.44 -1.26 -2.96 119.66 117.28 2ju8 s GLN 12 Ca 0.06 0.41 -0.14 0.00 -2.50 0.00 0.00 55.36 53.19 2ju8 s GLN 12 Cb -0.01 -0.08 -0.05 0.00 -1.64 0.00 0.00 33.01 31.23 2ju8 s GLN 12 CO -0.07 -0.13 0.35 -1.21 0.50 0.00 0.00 175.29 174.73 2ju8 s GLU 13 N 0.93 4.06 -0.16 1.67 2.02 -1.23 -4.75 118.70 121.25 2ju8 s GLU 13 Ca -0.07 0.25 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 2ju8 s GLU 13 Cb -0.08 -3.33 0.04 0.00 0.10 0.00 0.00 34.13 30.86 2ju8 s GLU 13 CO -0.05 0.44 0.22 0.09 0.02 0.00 0.00 175.26 175.98 2ju8 n ASN 14 N 2.79 -0.69 0.03 -0.19 4.13 -1.26 -4.19 115.26 115.88 2ju8 n ASN 14 Ca -0.13 1.19 0.00 0.00 1.68 0.00 0.00 54.58 57.32 2ju8 n ASN 14 Cb 0.52 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 34.05 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 1.49 -0.16 -0.21 3.10 -0.00 -1.26 -4.66 117.46 115.76 2ju8 n PHE 15 Ca -0.37 0.03 0.01 0.00 -0.00 0.00 0.00 57.45 57.12 2ju8 n PHE 15 Cb 0.57 0.07 0.09 0.00 -0.00 0.00 0.00 39.48 40.21 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 0.08 -0.54 -4.13 5.08 -1.98 0.91 114.58 114.00 2ju8 h GLU 16 Ca 0.00 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2ju8 h GLU 16 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2ju8 h GLU 16 CO 0.00 0.05 -0.04 -1.00 -1.00 0.00 0.00 179.01 177.03 2ju8 h PRO 17 N 0.08 0.98 -0.01 2.33 0.13 -1.99 -1.47 132.00 132.06 2ju8 h PRO 17 Ca 0.32 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2ju8 h PRO 17 Cb 0.51 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 2ju8 h PRO 17 CO -0.56 1.00 -0.00 0.35 -0.23 0.00 0.00 178.00 178.56 2ju8 h PHE 18 N 0.85 0.01 -0.45 1.56 3.57 -1.69 -1.07 116.94 119.73 2ju8 h PHE 18 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2ju8 h PHE 18 Cb 0.58 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2ju8 h PHE 18 CO 0.04 0.44 0.25 0.00 -2.23 0.00 0.00 178.31 176.82 2ju8 h MET 19 N -0.42 0.63 -0.31 1.11 -0.00 -0.88 -2.71 114.93 112.34 2ju8 h MET 19 Ca 0.00 -0.07 -0.17 0.00 -0.00 0.00 0.00 59.70 59.46 2ju8 h MET 19 Cb 0.44 -0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 31.91 2ju8 h MET 19 CO 0.00 0.49 -0.46 -0.22 -0.00 0.00 0.00 176.91 176.72 2ju8 h LYS 20 N 0.59 0.84 0.00 -0.10 3.64 -1.32 0.04 116.57 120.26 2ju8 h LYS 20 Ca 0.16 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2ju8 h LYS 20 Cb 0.04 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2ju8 h LYS 20 CO -0.03 1.12 0.00 0.00 -2.27 0.00 0.00 179.45 178.27 2ju8 n ALA 21 N -2.55 1.32 -0.00 5.00 0.00 -0.41 -3.62 120.51 120.26 2ju8 n ALA 21 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 2ju8 n ALA 21 Cb 0.58 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.81 0.03 0.00 0.00 0.00 -0.94 -5.05 117.12 109.34 2ju8 n MET 22 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.70 57.72 2ju8 n MET 22 Cb 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 33.22 32.80 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 1.62 0.00 3.75 -5.12 0.00 -0.17 -5.12 105.19 100.15 2ju8 n GLY 23 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.61 -0.16 0.99 2.96 -0.19 -5.00 118.68 121.90 2ju8 s LEU 24 Ca 0.00 1.85 -0.26 0.00 -0.22 0.00 0.00 54.13 55.50 2ju8 s LEU 24 Cb 0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 2ju8 s LEU 24 CO 0.00 0.14 0.87 -2.16 -1.32 0.00 0.00 176.35 173.88 2ju8 s PRO 25 N -1.00 4.31 0.56 0.98 0.05 -1.26 -4.10 135.00 134.55 2ju8 s PRO 25 Ca 0.41 1.09 0.29 0.00 0.05 0.00 0.00 61.00 62.84 2ju8 s PRO 25 Cb -0.25 -3.57 1.46 0.00 0.05 0.00 0.00 34.50 32.19 2ju8 s PRO 25 CO 0.30 -0.34 1.91 1.49 0.05 0.00 0.00 177.00 180.41 2ju8 h GLU 26 N 7.30 0.00 -0.22 4.56 4.81 -1.95 -1.96 114.58 127.11 2ju8 h GLU 26 Ca -0.29 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2ju8 h GLU 26 Cb 1.13 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2ju8 h GLU 26 CO 0.85 0.00 0.03 -0.44 -0.73 0.00 0.00 179.01 178.72 2ju8 h ASP 27 N 0.00 -0.02 -0.15 1.04 5.19 -2.01 0.73 116.42 121.21 2ju8 h ASP 27 Ca 0.30 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.60 2ju8 h ASP 27 Cb 1.35 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.91 2ju8 h ASP 27 CO -0.00 0.02 -0.47 -0.07 -3.12 0.00 0.00 179.24 175.60 2ju8 h LEU 28 N 0.11 0.77 -0.80 1.55 4.07 -1.78 -3.21 115.31 116.02 2ju8 h LEU 28 Ca 0.10 -0.38 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 2ju8 h LEU 28 Cb 0.11 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.59 2ju8 h LEU 28 CO -0.14 1.12 0.36 0.40 -1.08 0.00 0.00 178.44 179.09 2ju8 h ILE 29 N 0.57 1.26 -0.43 1.22 2.04 -1.21 -2.12 117.51 118.82 2ju8 h ILE 29 Ca 0.03 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.20 2ju8 h ILE 29 Cb 1.03 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 2ju8 h ILE 29 CO 0.10 0.32 0.08 1.56 0.00 0.00 0.00 178.15 180.20 2ju8 h GLN 30 N 1.15 0.20 -0.06 2.37 1.08 -0.87 0.31 115.11 119.29 2ju8 h GLN 30 Ca 0.27 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.35 2ju8 h GLN 30 Cb 0.16 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2ju8 h GLN 30 CO -0.03 0.13 -0.47 0.87 -0.95 0.00 0.00 178.83 178.38 2ju8 h LYS 31 N 0.21 0.15 0.01 1.46 1.57 -1.61 -3.18 116.57 115.17 2ju8 h LYS 31 Ca 0.21 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.71 2ju8 h LYS 31 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2ju8 h LYS 31 CO -0.28 0.59 -0.94 0.78 -0.57 0.00 0.00 179.45 179.03 2ju8 h GLY 32 N 1.36 0.03 2.00 3.86 0.00 -0.59 -3.27 103.07 106.46 2ju8 h GLY 32 Ca 0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2ju8 h GLY 32 CO 0.07 0.05 -0.50 0.07 0.00 0.00 0.00 176.54 176.23 2ju8 h LYS 33 N 0.01 0.00 0.00 4.80 2.10 -0.41 -2.38 116.57 120.68 2ju8 h LYS 33 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2ju8 h LYS 33 Cb 1.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.99 2ju8 h LYS 33 CO 0.13 0.50 0.00 -0.25 -2.00 0.00 0.00 179.45 177.83 2ju8 n ASP 34 N -3.78 0.00 -4.31 7.07 8.00 -1.21 -4.68 116.55 117.64 2ju8 n ASP 34 Ca -0.01 0.01 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 2ju8 n ASP 34 Cb 0.54 -0.33 -0.14 0.00 -0.02 0.00 0.00 41.12 41.17 2ju8 n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ju8 s ILE 35 N -2.65 3.01 -0.12 0.53 1.01 -0.90 -5.07 121.20 117.01 2ju8 s ILE 35 Ca 0.23 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 2ju8 s ILE 35 Cb 0.18 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.29 2ju8 s ILE 35 CO 0.43 0.49 2.03 -0.54 0.00 0.00 0.00 174.94 177.35 2ju8 s LYS 36 N 0.87 3.62 0.94 2.79 1.02 -1.26 -4.92 119.74 122.80 2ju8 s LYS 36 Ca -0.03 2.19 -0.10 0.00 0.02 0.00 0.00 55.97 58.05 2ju8 s LYS 36 Cb -0.15 -4.24 0.16 0.00 -0.52 0.00 0.00 37.83 33.08 2ju8 s LYS 36 CO -0.00 -1.54 1.11 0.41 -0.92 0.00 0.00 175.35 174.41 2ju8 n GLY 37 N 5.13 -0.56 3.19 -3.33 0.00 -1.23 -4.75 105.19 103.63 2ju8 n GLY 37 Ca 0.24 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2ju8 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ju8 s VAL 38 N -2.61 1.78 -0.05 1.61 1.01 -1.18 -1.31 120.40 119.65 2ju8 s VAL 38 Ca 0.67 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2ju8 s VAL 38 Cb -0.23 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.64 2ju8 s VAL 38 CO 0.59 0.50 -0.03 -0.94 0.00 0.00 0.00 175.10 175.22 2ju8 s SER 39 N 0.11 0.95 -0.05 3.32 1.04 -0.80 -2.87 113.70 115.41 2ju8 s SER 39 Ca -0.09 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2ju8 s SER 39 Cb -0.14 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.59 2ju8 s SER 39 CO 0.05 -0.08 -0.04 -1.61 0.98 0.00 0.00 173.24 172.54 2ju8 s GLU 40 N 1.07 0.78 -0.22 4.02 2.02 -1.04 -1.53 118.70 123.80 2ju8 s GLU 40 Ca -0.09 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 2ju8 s GLU 40 Cb -0.14 -0.86 0.00 0.00 0.10 0.00 0.00 34.13 33.23 2ju8 s GLU 40 CO -0.01 -0.13 -0.07 0.42 0.02 0.00 0.00 175.26 175.49 2ju8 s ILE 41 N 1.12 3.08 -0.30 -1.63 1.09 -1.03 -2.80 121.20 120.74 2ju8 s ILE 41 Ca -0.08 -0.66 -0.07 0.00 -1.10 0.00 0.00 60.65 58.74 2ju8 s ILE 41 Cb -0.14 -2.42 0.01 0.00 -1.06 0.00 0.00 42.46 38.85 2ju8 s ILE 41 CO -0.01 0.40 0.08 -0.69 -0.10 0.00 0.00 174.94 174.62 2ju8 s VAL 42 N 1.42 3.96 -0.31 2.92 1.01 -0.85 -2.59 120.40 125.97 2ju8 s VAL 42 Ca 0.05 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2ju8 s VAL 42 Cb -0.14 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2ju8 s VAL 42 CO -0.05 0.07 0.17 -2.28 0.00 0.00 0.00 175.10 173.01 2ju8 s HIS 43 N 1.50 3.19 -0.27 5.22 5.04 -1.26 -0.90 115.29 127.80 2ju8 s HIS 43 Ca 0.02 -0.42 -0.03 0.00 -1.54 0.00 0.00 55.06 53.09 2ju8 s HIS 43 Cb -0.17 -2.38 0.09 0.00 0.04 0.00 0.00 32.58 30.16 2ju8 s HIS 43 CO 0.02 -0.40 0.11 -2.00 -2.34 0.00 0.00 174.74 170.14 2ju8 s GLU 44 N 1.65 0.30 -0.98 2.88 2.56 0.02 -4.92 118.70 120.22 2ju8 s GLU 44 Ca 0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 54.97 54.33 2ju8 s GLU 44 Cb -0.17 -1.46 0.00 0.00 2.00 0.00 0.00 34.13 34.50 2ju8 s GLU 44 CO 0.07 -0.94 0.70 0.41 -0.56 0.00 0.00 175.26 174.94 2ju8 n GLY 45 N 5.16 -1.12 4.48 -1.50 0.00 -1.26 -0.74 105.19 110.21 2ju8 n GLY 45 Ca -0.06 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.38 0.00 -3.03 1.61 5.02 -1.26 -4.90 118.16 112.21 2ju8 n LYS 46 Ca -0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.71 2ju8 n LYS 46 Cb 0.60 -2.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.02 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 3.30 -0.20 1.97 1.02 0.08 -2.44 119.74 123.47 2ju8 s LYS 47 Ca 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 55.57 2ju8 s LYS 47 Cb 0.00 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.30 2ju8 s LYS 47 CO 0.00 -1.15 0.00 0.08 -0.92 0.00 0.00 175.35 173.36 2ju8 s VAL 48 N 3.10 3.99 -0.22 3.17 1.01 -1.06 -0.80 120.40 129.59 2ju8 s VAL 48 Ca 0.25 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 2ju8 s VAL 48 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2ju8 s VAL 48 CO 0.19 0.43 0.19 -0.54 0.00 0.00 0.00 175.10 175.37 2ju8 s LYS 49 N 0.96 4.14 -0.19 2.72 -0.14 -0.08 -2.69 119.74 124.46 2ju8 s LYS 49 Ca 0.02 -0.17 -0.04 0.00 -1.36 0.00 0.00 55.97 54.42 2ju8 s LYS 49 Cb -0.14 -3.49 -0.02 0.00 -1.68 0.00 0.00 37.83 32.50 2ju8 s LYS 49 CO 0.02 0.14 -0.05 -1.17 -0.76 0.00 0.00 175.35 173.53 2ju8 s LEU 50 N 0.82 3.01 -0.09 3.17 1.98 -0.74 -2.00 118.68 124.83 2ju8 s LEU 50 Ca 0.10 -0.29 0.02 0.00 -2.89 0.00 0.00 54.13 51.06 2ju8 s LEU 50 Cb -0.13 -1.75 0.01 0.00 0.66 0.00 0.00 46.19 44.99 2ju8 s LEU 50 CO 0.03 0.06 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.50 2ju8 s THR 51 N 1.01 1.45 -0.08 3.68 2.01 -1.12 -0.87 115.64 121.72 2ju8 s THR 51 Ca 0.00 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.39 2ju8 s THR 51 Cb -0.15 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.06 2ju8 s THR 51 CO 0.00 0.43 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.61 2ju8 s ILE 52 N 0.83 1.24 -0.14 1.82 -1.09 -0.16 -2.51 121.20 121.19 2ju8 s ILE 52 Ca -0.10 -0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 57.79 2ju8 s ILE 52 Cb -0.16 -1.14 -0.02 0.00 -1.58 0.00 0.00 42.46 39.56 2ju8 s ILE 52 CO 0.01 0.38 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.14 2ju8 s THR 53 N 0.86 3.56 -0.26 2.92 2.01 -1.14 -0.83 115.64 122.76 2ju8 s THR 53 Ca -0.10 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2ju8 s THR 53 Cb -0.15 -2.52 0.06 0.00 0.01 0.00 0.00 72.50 69.90 2ju8 s THR 53 CO 0.01 0.52 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.05 2ju8 s TYR 54 N 0.22 3.20 0.00 4.92 2.02 -0.22 -3.12 117.35 124.37 2ju8 s TYR 54 Ca -0.05 -2.30 0.00 0.00 -0.37 0.00 0.00 57.07 54.35 2ju8 s TYR 54 Cb -0.14 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 2ju8 s TYR 54 CO 0.04 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.56 2ju8 n GLY 55 N 4.45 1.21 0.18 0.71 0.00 -1.26 -1.74 105.19 108.73 2ju8 n GLY 55 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 3.62 0.15 -4.40 1.61 3.41 -1.26 -5.07 113.62 111.69 2ju8 n SER 56 Ca 0.00 -1.45 -0.33 0.00 -0.26 0.00 0.00 58.87 56.83 2ju8 n SER 56 Cb 0.00 -0.08 -0.14 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 -0.12 3.45 -0.22 4.33 2.20 -0.71 -5.10 119.74 123.56 2ju8 s LYS 57 Ca 0.01 -0.65 -0.09 0.00 -0.36 0.00 0.00 55.97 54.88 2ju8 s LYS 57 Cb 0.01 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 2ju8 s LYS 57 CO 0.00 0.21 0.11 0.08 -0.36 0.00 0.00 175.35 175.39 2ju8 s VAL 58 N 0.38 4.99 -0.21 4.02 1.01 -1.26 -1.05 120.40 128.28 2ju8 s VAL 58 Ca -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2ju8 s VAL 58 Cb -0.15 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2ju8 s VAL 58 CO 0.05 0.39 -0.05 -0.63 0.00 0.00 0.00 175.10 174.86 2ju8 s ILE 59 N 0.84 3.34 0.00 2.22 -1.09 -0.01 -4.99 121.20 121.50 2ju8 s ILE 59 Ca 0.06 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 2ju8 s ILE 59 Cb -0.13 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 2ju8 s ILE 59 CO 0.02 0.44 -0.04 -2.28 -1.23 0.00 0.00 174.94 171.85 2ju8 s HIS 60 N 1.35 2.95 0.12 3.97 5.65 -1.26 -0.99 115.29 127.07 2ju8 s HIS 60 Ca 0.04 0.00 -0.09 0.00 0.25 0.00 0.00 55.06 55.26 2ju8 s HIS 60 Cb -0.14 -1.63 -0.00 0.00 -1.18 0.00 0.00 32.58 29.63 2ju8 s HIS 60 CO -0.03 0.40 0.24 -0.80 -0.65 0.00 0.00 174.74 173.90 2ju8 s ASN 61 N -1.45 0.06 -0.09 9.88 -0.87 -0.05 -5.00 114.94 117.42 2ju8 s ASN 61 Ca 0.18 -0.69 -0.04 0.00 -1.57 0.00 0.00 52.86 50.73 2ju8 s ASN 61 Cb -0.11 0.38 0.04 0.00 -0.02 0.00 0.00 41.25 41.54 2ju8 s ASN 61 CO 0.08 -0.79 0.20 -1.83 -2.57 0.00 0.00 177.10 172.19 2ju8 s GLU 62 N -3.89 0.15 0.02 -0.60 -1.05 -1.26 -1.79 118.70 110.28 2ju8 s GLU 62 Ca 0.09 0.48 -0.13 0.00 -0.15 0.00 0.00 54.97 55.26 2ju8 s GLU 62 Cb 0.04 -0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.60 2ju8 s GLU 62 CO -0.08 -0.18 0.27 -0.59 0.95 0.00 0.00 175.26 175.63 2ju8 s PHE 63 N 1.33 -0.08 -0.14 4.83 -0.12 -1.10 -4.92 117.98 117.79 2ju8 s PHE 63 Ca -0.08 0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 56.67 2ju8 s PHE 63 Cb -0.11 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 2ju8 s PHE 63 CO -0.07 -0.43 0.30 0.99 -0.05 0.00 0.00 175.22 175.96 2ju8 s THR 64 N -2.01 5.29 0.00 -4.49 2.01 -1.26 -2.57 115.64 112.61 2ju8 s THR 64 Ca -0.09 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2ju8 s THR 64 Cb -0.03 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.85 2ju8 s THR 64 CO -0.00 0.43 0.00 0.18 -0.69 0.00 0.00 174.62 174.53 2ju8 n LEU 65 N 3.26 0.00 -1.67 4.42 4.77 -1.02 -2.53 117.00 124.23 2ju8 n LEU 65 Ca -0.13 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 2ju8 n LEU 65 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2ju8 n LEU 65 CO 0.39 0.00 0.80 0.61 -1.33 0.00 0.00 177.39 177.86 2ju8 n GLY 66 N 0.00 2.04 3.21 -0.72 0.00 -1.26 -3.72 105.19 104.73 2ju8 n GLY 66 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.60 0.35 -0.17 1.61 0.41 -1.05 -5.09 118.70 115.35 2ju8 s GLU 67 Ca 0.05 0.65 -0.29 0.00 -0.41 0.00 0.00 54.97 54.96 2ju8 s GLU 67 Cb 0.02 0.00 -0.02 0.00 -1.78 0.00 0.00 34.13 32.36 2ju8 s GLU 67 CO 0.00 -0.13 1.33 -2.00 -0.49 0.00 0.00 175.26 173.96 2ju8 s GLU 68 N 1.06 4.16 0.23 1.61 2.12 -1.26 -4.23 118.70 122.39 2ju8 s GLU 68 Ca -0.07 1.66 0.10 0.00 0.36 0.00 0.00 54.97 57.02 2ju8 s GLU 68 Cb -0.07 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 2ju8 s GLU 68 CO -0.08 -0.81 -0.12 0.00 -0.54 0.00 0.00 175.26 173.70 2ju8 s GLU 70 N -3.22 3.92 0.03 0.00 2.12 -1.26 -1.27 118.70 119.02 2ju8 s GLU 70 Ca 0.27 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.43 2ju8 s GLU 70 Cb -0.07 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2ju8 s GLU 70 CO 0.15 -0.26 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.03 2ju8 s LEU 71 N 1.89 3.12 0.02 2.70 1.02 0.12 -4.95 118.68 122.61 2ju8 s LEU 71 Ca 0.10 -0.21 -0.24 0.00 0.02 0.00 0.00 54.13 53.80 2ju8 s LEU 71 Cb -0.16 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 2ju8 s LEU 71 CO 0.11 0.25 0.72 -0.70 0.02 0.00 0.00 176.35 176.75 2ju8 s GLU 72 N -1.62 4.44 0.65 1.70 2.12 -1.26 -2.34 118.70 122.38 2ju8 s GLU 72 Ca 0.18 0.96 -0.03 0.00 0.36 0.00 0.00 54.97 56.45 2ju8 s GLU 72 Cb -0.11 -3.37 0.06 0.00 0.26 0.00 0.00 34.13 30.97 2ju8 s GLU 72 CO 0.09 0.28 0.92 0.95 -0.54 0.00 0.00 175.26 176.96 2ju8 s THR 73 N 0.00 2.42 0.27 -1.70 -4.23 -0.85 -4.98 115.64 106.56 2ju8 s THR 73 Ca 0.37 -0.48 0.22 0.00 -1.18 0.00 0.00 61.69 60.62 2ju8 s THR 73 Cb -0.20 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.91 2ju8 s THR 73 CO 0.21 0.00 1.88 -0.03 -0.54 0.00 0.00 174.62 176.14 2ju8 h MET 74 N -0.33 0.00 0.00 3.99 4.05 -1.98 -2.51 114.93 118.16 2ju8 h MET 74 Ca -0.42 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.93 2ju8 h MET 74 Cb 1.30 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.09 2ju8 h MET 74 CO 0.53 0.25 -0.32 1.79 0.23 0.00 0.00 176.91 179.39 2ju8 h THR 75 N 0.00 0.58 0.00 -0.77 1.35 -2.02 -3.47 112.91 108.57 2ju8 h THR 75 Ca -0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 2ju8 h THR 75 Cb 0.64 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2ju8 h THR 75 CO 0.03 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2ju8 n GLY 76 N 1.05 1.05 3.84 5.82 0.00 -0.94 -5.10 105.19 110.92 2ju8 n GLY 76 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.69 4.02 -0.27 1.61 2.12 -1.26 -4.83 118.70 119.39 2ju8 s GLU 77 Ca 0.00 0.56 -0.19 0.00 0.36 0.00 0.00 54.97 55.70 2ju8 s GLU 77 Cb 0.00 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 2ju8 s GLU 77 CO 0.00 0.41 0.56 0.15 -0.54 0.00 0.00 175.26 175.84 2ju8 s LYS 78 N -2.18 4.02 0.08 4.30 -0.14 -1.26 -2.01 119.74 122.53 2ju8 s LYS 78 Ca 0.42 0.34 0.09 0.00 -1.36 0.00 0.00 55.97 55.46 2ju8 s LYS 78 Cb -0.14 -3.68 -0.03 0.00 -1.68 0.00 0.00 37.83 32.30 2ju8 s LYS 78 CO 0.20 -0.43 -0.24 0.14 -0.76 0.00 0.00 175.35 174.26 2ju8 s VAL 79 N 2.42 1.97 -0.13 3.17 -7.23 -0.99 -5.00 120.40 114.60 2ju8 s VAL 79 Ca 0.23 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2ju8 s VAL 79 Cb -0.15 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2ju8 s VAL 79 CO 0.10 0.17 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.44 2ju8 s LYS 80 N -1.56 3.46 -0.07 4.82 -2.85 -1.26 -0.70 119.74 121.58 2ju8 s LYS 80 Ca 0.10 -0.49 -0.09 0.00 -1.00 0.00 0.00 55.97 54.49 2ju8 s LYS 80 Cb -0.10 -2.87 0.02 0.00 -2.06 0.00 0.00 37.83 32.82 2ju8 s LYS 80 CO 0.03 0.38 0.23 0.00 0.10 0.00 0.00 175.35 176.09 2ju8 s ALA 81 N 0.00 -0.56 -0.20 0.59 0.00 -0.40 -4.14 121.76 117.05 2ju8 s ALA 81 Ca 0.01 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2ju8 s ALA 81 Cb -0.13 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.76 2ju8 s ALA 81 CO 0.02 -0.14 -0.11 0.54 0.00 0.00 0.00 175.76 176.07 2ju8 s VAL 82 N -0.23 1.73 -0.27 0.00 0.11 -1.18 -1.65 120.40 118.90 2ju8 s VAL 82 Ca -0.03 -1.04 -0.06 0.00 -2.93 0.00 0.00 61.98 57.92 2ju8 s VAL 82 Cb -0.03 -1.77 0.01 0.00 -1.53 0.00 0.00 36.38 33.06 2ju8 s VAL 82 CO 0.01 0.20 0.04 0.54 -3.33 0.00 0.00 175.10 172.56 2ju8 s VAL 83 N 1.36 3.73 -0.04 2.04 0.11 -1.24 -2.99 120.40 123.37 2ju8 s VAL 83 Ca -0.01 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 2ju8 s VAL 83 Cb -0.16 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.78 2ju8 s VAL 83 CO -0.08 0.17 0.06 -0.54 -3.33 0.00 0.00 175.10 171.38 2ju8 s LYS 84 N 1.48 3.08 -0.06 1.54 1.02 -0.44 -4.10 119.74 122.25 2ju8 s LYS 84 Ca 0.03 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.60 2ju8 s LYS 84 Cb -0.17 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2ju8 s LYS 84 CO 0.01 0.68 -0.06 0.00 -0.92 0.00 0.00 175.35 175.05 2ju8 s MET 85 N -1.43 2.75 -0.05 1.68 0.23 -1.26 -2.28 119.30 118.94 2ju8 s MET 85 Ca 0.19 -0.55 0.17 0.00 -1.03 0.00 0.00 55.69 54.47 2ju8 s MET 85 Cb -0.12 -2.60 -0.26 0.00 -1.53 0.00 0.00 34.83 30.33 2ju8 s MET 85 CO 0.10 0.66 0.32 -1.91 -2.03 0.00 0.00 175.02 172.15 2ju8 n GLU 86 N 2.13 0.69 -2.43 3.16 4.07 -1.10 -5.01 120.64 122.15 2ju8 n GLU 86 Ca -0.18 -0.13 -0.09 0.00 -0.06 0.00 0.00 57.16 56.71 2ju8 n GLU 86 Cb 0.53 -1.41 0.01 0.00 -0.06 0.00 0.00 31.44 30.50 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 1.61 0.13 2.51 8.31 0.00 -1.26 -4.96 105.19 111.54 2ju8 n GLY 87 Ca -0.08 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2ju8 n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju8 n ASP 88 N 0.14 -0.94 -0.62 1.61 2.03 -1.26 -4.93 116.55 112.58 2ju8 n ASP 88 Ca -0.06 -3.33 -0.07 0.00 0.52 0.00 0.00 54.79 51.85 2ju8 n ASP 88 Cb 0.56 0.80 -0.03 0.00 -0.72 0.00 0.00 41.12 41.73 2ju8 n ASP 88 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2ju8 n ASN 89 N 0.26 -4.31 -3.85 1.67 5.15 -0.68 -4.85 115.26 108.65 2ju8 n ASN 89 Ca 0.13 0.16 -0.19 0.00 -0.60 0.00 0.00 54.58 54.08 2ju8 n ASN 89 Cb 0.70 -3.16 -0.16 0.00 -0.53 0.00 0.00 39.78 36.62 2ju8 n ASN 89 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2ju8 s LYS 90 N -2.26 0.62 0.00 1.20 2.36 -1.26 -2.74 119.74 117.65 2ju8 s LYS 90 Ca 0.00 -0.01 -0.03 0.00 -2.55 0.00 0.00 55.97 53.38 2ju8 s LYS 90 Cb 0.00 -0.73 -0.01 0.00 -1.05 0.00 0.00 37.83 36.04 2ju8 s LYS 90 CO 0.00 -0.13 0.05 1.41 1.55 0.00 0.00 175.35 178.23 2ju8 s MET 91 N 1.09 0.29 -0.09 4.03 -2.45 0.11 -2.71 119.30 119.57 2ju8 s MET 91 Ca -0.09 -0.32 -0.00 0.00 -1.25 0.00 0.00 55.69 54.03 2ju8 s MET 91 Cb -0.14 0.11 0.02 0.00 1.25 0.00 0.00 34.83 36.08 2ju8 s MET 91 CO -0.01 -0.06 -0.06 0.54 1.05 0.00 0.00 175.02 176.48 2ju8 s VAL 92 N -0.96 0.81 -0.02 10.11 0.11 -0.97 -2.46 120.40 127.03 2ju8 s VAL 92 Ca -0.11 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2ju8 s VAL 92 Cb -0.06 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2ju8 s VAL 92 CO 0.00 0.32 -0.07 0.28 -3.33 0.00 0.00 175.10 172.30 2ju8 s THR 93 N 1.55 0.63 -0.10 5.04 -1.32 -1.09 -1.33 115.64 119.03 2ju8 s THR 93 Ca 0.01 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 2ju8 s THR 93 Cb -0.13 -0.58 0.01 0.00 -1.51 0.00 0.00 72.50 70.29 2ju8 s THR 93 CO -0.05 0.21 -0.14 0.42 -2.21 0.00 0.00 174.62 172.85 2ju8 s THR 94 N 0.30 1.39 -0.03 5.08 -4.23 -1.16 -2.57 115.64 114.43 2ju8 s THR 94 Ca -0.04 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2ju8 s THR 94 Cb -0.09 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.50 2ju8 s THR 94 CO 0.00 0.42 0.02 0.72 -0.54 0.00 0.00 174.62 175.24 2ju8 s PHE 95 N 0.93 0.15 -1.98 3.99 -0.71 -1.15 -3.12 117.98 116.09 2ju8 s PHE 95 Ca -0.08 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 2ju8 s PHE 95 Cb -0.15 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.31 2ju8 s PHE 95 CO -0.00 -0.13 0.00 1.63 -1.34 0.00 0.00 175.22 175.38 2ju8 n LYS 96 N 4.37 -1.50 -0.68 1.99 5.02 -1.26 -0.74 118.16 125.36 2ju8 n LYS 96 Ca -0.23 1.10 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2ju8 n LYS 96 Cb 0.50 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 2ju8 n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju8 n GLY 97 N -0.50 0.76 3.81 0.72 0.00 -1.26 -5.04 105.19 103.68 2ju8 n GLY 97 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.79 4.83 -0.30 -0.61 1.01 0.08 -5.05 121.20 118.37 2ju8 s ILE 98 Ca 0.00 1.13 -0.15 0.00 0.00 0.00 0.00 60.65 61.63 2ju8 s ILE 98 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2ju8 s ILE 98 CO 0.00 0.54 0.39 -0.75 0.00 0.00 0.00 174.94 175.11 2ju8 s LYS 99 N -0.95 3.84 -0.16 2.79 2.47 -1.26 -2.92 119.74 123.56 2ju8 s LYS 99 Ca 0.28 -0.11 0.01 0.00 -1.56 0.00 0.00 55.97 54.58 2ju8 s LYS 99 Cb -0.19 -3.72 0.02 0.00 -1.46 0.00 0.00 37.83 32.49 2ju8 s LYS 99 CO 0.17 -0.39 -0.17 -1.12 0.16 0.00 0.00 175.35 174.00 2ju8 s SER 100 N 1.68 2.89 -0.23 1.43 0.01 -1.06 -2.85 113.70 115.56 2ju8 s SER 100 Ca 0.14 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 2ju8 s SER 100 Cb -0.16 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 2ju8 s SER 100 CO 0.11 -0.03 0.02 -0.69 0.41 0.00 0.00 173.24 173.06 2ju8 s VAL 101 N 1.37 3.89 -0.18 3.43 1.01 0.06 -2.68 120.40 127.30 2ju8 s VAL 101 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 2ju8 s VAL 101 Cb -0.13 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2ju8 s VAL 101 CO -0.11 0.38 -0.14 -0.89 0.00 0.00 0.00 175.10 174.33 2ju8 s THR 102 N 1.52 2.64 -0.15 3.92 2.01 -1.03 -0.38 115.64 124.17 2ju8 s THR 102 Ca 0.06 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 2ju8 s THR 102 Cb -0.15 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 2ju8 s THR 102 CO 0.01 0.50 0.27 -1.61 -0.69 0.00 0.00 174.62 173.10 2ju8 s GLU 103 N 1.08 4.15 -0.27 4.92 2.02 -0.63 0.09 118.70 130.06 2ju8 s GLU 103 Ca -0.00 0.07 -0.05 0.00 0.02 0.00 0.00 54.97 55.00 2ju8 s GLU 103 Cb -0.14 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.70 2ju8 s GLU 103 CO -0.04 0.33 0.03 -0.06 0.02 0.00 0.00 175.26 175.54 2ju8 s PHE 104 N 0.20 3.10 0.14 1.61 0.40 -1.11 -2.90 117.98 119.42 2ju8 s PHE 104 Ca 0.16 -1.04 0.08 0.00 -0.60 0.00 0.00 56.93 55.54 2ju8 s PHE 104 Cb -0.13 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 2ju8 s PHE 104 CO 0.04 -0.58 -0.19 1.21 0.70 0.00 0.00 175.22 176.40 2ju8 s ASN 105 N 1.47 2.58 0.00 1.36 3.04 -1.09 -1.69 114.94 120.61 2ju8 s ASN 105 Ca 0.03 -0.80 0.00 0.00 0.04 0.00 0.00 52.86 52.13 2ju8 s ASN 105 Cb -0.16 -0.14 0.00 0.00 -1.54 0.00 0.00 41.25 39.40 2ju8 s ASN 105 CO 0.00 -0.02 1.48 0.61 -3.04 0.00 0.00 177.10 176.14 2ju8 n GLY 106 N 0.56 2.13 0.00 1.21 0.00 -1.26 -3.53 105.19 104.29 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 1.20 0.00 -3.80 1.61 5.68 -1.26 -5.01 116.55 114.96 2ju8 n ASP 107 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.15 2ju8 n ASP 107 Cb 0.45 0.00 -0.15 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 -0.29 -0.04 -0.18 2.12 2.01 -1.23 -1.43 115.64 116.60 2ju8 s THR 108 Ca 0.00 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2ju8 s THR 108 Cb 0.00 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.42 2ju8 s THR 108 CO 0.00 0.06 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.18 2ju8 s ILE 109 N 0.72 2.31 -0.07 1.82 -1.09 -0.95 -2.67 121.20 121.27 2ju8 s ILE 109 Ca -0.06 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 2ju8 s ILE 109 Cb -0.08 -1.98 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 2ju8 s ILE 109 CO -0.02 0.52 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.24 2ju8 s THR 110 N 1.17 3.62 -0.07 2.92 2.01 -1.14 -2.84 115.64 121.31 2ju8 s THR 110 Ca 0.02 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2ju8 s THR 110 Cb -0.14 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.90 2ju8 s THR 110 CO -0.08 0.59 -0.19 0.21 -0.69 0.00 0.00 174.62 174.46 2ju8 s ASN 111 N -0.72 2.49 -0.19 3.53 3.84 -1.14 -1.61 114.94 121.14 2ju8 s ASN 111 Ca 0.11 -0.43 0.01 0.00 0.21 0.00 0.00 52.86 52.76 2ju8 s ASN 111 Cb -0.11 -0.99 0.03 0.00 -0.55 0.00 0.00 41.25 39.62 2ju8 s ASN 111 CO 0.01 0.13 -0.18 -0.89 -2.79 0.00 0.00 177.10 173.38 2ju8 s THR 112 N 0.32 2.05 -0.10 -5.21 2.01 0.48 -2.33 115.64 112.86 2ju8 s THR 112 Ca -0.13 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 60.86 2ju8 s THR 112 Cb -0.15 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.46 2ju8 s THR 112 CO 0.05 0.44 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.22 2ju8 s MET 113 N 1.27 2.36 -0.16 4.92 -1.94 -0.59 -0.76 119.30 124.39 2ju8 s MET 113 Ca 0.03 -0.62 0.01 0.00 -1.71 0.00 0.00 55.69 53.40 2ju8 s MET 113 Cb -0.14 -1.92 0.02 0.00 2.01 0.00 0.00 34.83 34.79 2ju8 s MET 113 CO -0.12 0.01 -0.20 0.99 -0.01 0.00 0.00 175.02 175.70 2ju8 s THR 114 N 0.76 1.99 -0.14 2.05 2.01 -1.13 -1.08 115.64 120.09 2ju8 s THR 114 Ca -0.11 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 2ju8 s THR 114 Cb -0.16 -1.79 0.07 0.00 0.01 0.00 0.00 72.50 70.63 2ju8 s THR 114 CO 0.02 0.53 0.20 -0.22 -0.69 0.00 0.00 174.62 174.46 2ju8 s LEU 115 N 1.15 -0.11 -0.98 4.42 1.98 -1.03 -4.20 118.68 119.90 2ju8 s LEU 115 Ca 0.01 0.13 -0.04 0.00 -2.89 0.00 0.00 54.13 51.34 2ju8 s LEU 115 Cb -0.14 0.38 0.00 0.00 0.66 0.00 0.00 46.19 47.09 2ju8 s LEU 115 CO -0.09 -0.28 0.84 0.61 -1.89 0.00 0.00 176.35 175.55 2ju8 n GLY 116 N 5.33 -0.17 3.10 7.98 0.00 -1.26 -2.13 105.19 118.04 2ju8 n GLY 116 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.13 -2.78 -4.78 1.61 9.92 -1.26 -4.96 116.55 112.16 2ju8 n ASP 117 Ca -0.07 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.80 2ju8 n ASP 117 Cb 0.57 -2.11 -0.06 0.00 -0.64 0.00 0.00 41.12 38.89 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 -1.64 4.72 -0.14 0.53 1.01 -0.91 -5.07 121.20 119.71 2ju8 s ILE 118 Ca 0.00 1.38 -0.05 0.00 0.00 0.00 0.00 60.65 61.98 2ju8 s ILE 118 Cb 0.00 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2ju8 s ILE 118 CO 0.00 0.48 0.04 -0.69 0.00 0.00 0.00 174.94 174.76 2ju8 s VAL 119 N -0.66 4.58 -0.14 2.92 1.01 -1.26 -2.48 120.40 124.37 2ju8 s VAL 119 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2ju8 s VAL 119 Cb -0.20 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2ju8 s VAL 119 CO 0.20 0.53 -0.13 -0.47 0.00 0.00 0.00 175.10 175.23 2ju8 s TYR 120 N -0.19 2.08 -0.10 5.22 6.14 -0.24 -4.63 117.35 125.63 2ju8 s TYR 120 Ca 0.06 -1.16 0.01 0.00 0.64 0.00 0.00 57.07 56.63 2ju8 s TYR 120 Cb -0.12 -1.55 0.02 0.00 0.42 0.00 0.00 41.96 40.73 2ju8 s TYR 120 CO 0.02 -0.65 -0.11 0.21 0.64 0.00 0.00 175.55 175.66 2ju8 s LYS 121 N 1.50 1.75 -0.20 4.97 2.20 -1.25 -1.55 119.74 127.16 2ju8 s LYS 121 Ca 0.05 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.25 2ju8 s LYS 121 Cb -0.13 -1.61 -0.01 0.00 -1.51 0.00 0.00 37.83 34.57 2ju8 s LYS 121 CO -0.10 -0.13 -0.07 0.50 -0.36 0.00 0.00 175.35 175.19 2ju8 s ARG 122 N 1.22 3.39 -0.27 4.03 3.52 -0.98 -3.55 118.95 126.31 2ju8 s ARG 122 Ca -0.03 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.83 2ju8 s ARG 122 Cb -0.14 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 2ju8 s ARG 122 CO -0.03 -0.08 0.15 0.08 -0.81 0.00 0.00 175.30 174.60 2ju8 s VAL 123 N 1.16 4.90 -0.01 7.11 1.01 -1.15 -2.89 120.40 130.51 2ju8 s VAL 123 Ca 0.02 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2ju8 s VAL 123 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2ju8 s VAL 123 CO -0.01 0.26 -0.12 -0.94 0.00 0.00 0.00 175.10 174.28 2ju8 s SER 124 N 1.70 1.49 0.03 3.32 1.04 -1.13 -0.72 113.70 119.43 2ju8 s SER 124 Ca 0.07 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.33 2ju8 s SER 124 Cb -0.16 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 2ju8 s SER 124 CO 0.08 0.14 -0.18 -1.59 0.98 0.00 0.00 173.24 172.67 2ju8 s LYS 125 N -0.19 2.10 0.17 4.02 0.00 -0.99 -2.23 119.74 122.62 2ju8 s LYS 125 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 55.97 54.74 2ju8 s LYS 125 Cb -0.06 -2.19 -0.08 0.00 0.00 0.00 0.00 37.83 35.50 2ju8 s LYS 125 CO -0.00 0.55 1.26 0.50 0.00 0.00 0.00 175.35 177.65 2ju8 s ARG 126 N -1.33 4.43 0.00 1.78 3.52 -0.52 -1.86 118.95 124.97 2ju8 s ARG 126 Ca 0.14 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.69 2ju8 s ARG 126 Cb -0.10 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2ju8 s ARG 126 CO 0.04 -0.20 0.37 0.44 -0.81 0.00 0.00 175.30 175.14