#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 6.24 -0.24 7.83 2.20 -1.26 -5.01 114.94 124.69 2ju8 s ASN 2 Ca 0.00 -0.54 -0.02 0.00 -0.94 0.00 0.00 52.86 51.36 2ju8 s ASN 2 Cb 0.00 -2.25 0.13 0.00 -2.00 0.00 0.00 41.25 37.13 2ju8 s ASN 2 CO 0.00 -0.62 0.34 -0.36 -2.94 0.00 0.00 177.10 173.52 2ju8 s PHE 3 N 2.33 -0.69 0.33 1.54 0.08 -1.26 -5.09 117.98 115.22 2ju8 s PHE 3 Ca 0.15 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.76 2ju8 s PHE 3 Cb -0.16 -0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.16 2ju8 s PHE 3 CO 0.15 -0.74 0.00 0.45 -0.10 0.00 0.00 175.22 174.98 2ju8 n SER 4 N 5.35 -5.81 0.00 1.36 2.88 -1.26 -4.83 113.62 111.31 2ju8 n SER 4 Ca -0.03 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 2ju8 n SER 4 Cb 0.50 -2.65 0.00 0.00 -0.75 0.00 0.00 64.21 61.31 2ju8 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ju8 n GLY 5 N -0.89 1.56 3.73 0.46 0.00 -0.67 -4.96 105.19 104.42 2ju8 n GLY 5 Ca 0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 4.21 0.02 1.61 2.20 -1.26 -1.77 119.74 122.75 2ju8 s LYS 6 Ca 0.00 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 2ju8 s LYS 6 Cb 0.00 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2ju8 s LYS 6 CO 0.00 0.28 -0.08 0.71 -0.36 0.00 0.00 175.35 175.90 2ju8 s TYR 7 N 0.37 0.70 -0.11 4.03 1.51 -0.20 -1.21 117.35 122.45 2ju8 s TYR 7 Ca 0.15 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 2ju8 s TYR 7 Cb -0.13 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 2ju8 s TYR 7 CO 0.03 -0.03 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.07 2ju8 s GLN 8 N -0.94 2.89 0.38 -0.62 2.00 -0.57 -1.04 119.66 121.76 2ju8 s GLN 8 Ca -0.03 -0.82 -0.26 0.00 -2.00 0.00 0.00 55.36 52.25 2ju8 s GLN 8 Cb -0.07 -2.24 -0.09 0.00 0.80 0.00 0.00 33.01 31.41 2ju8 s GLN 8 CO 0.00 0.10 1.19 0.14 -0.50 0.00 0.00 175.29 176.22 2ju8 s VAL 9 N 0.54 3.08 0.00 1.34 -7.23 -1.13 -1.56 120.40 115.43 2ju8 s VAL 9 Ca -0.15 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 2ju8 s VAL 9 Cb -0.17 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.21 2ju8 s VAL 9 CO 0.05 0.13 0.00 0.00 -0.31 0.00 0.00 175.10 174.97 2ju8 n GLN 10 N 0.30 3.22 -3.54 4.82 6.02 -0.16 -4.39 117.38 123.64 2ju8 n GLN 10 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.90 2ju8 n GLN 10 Cb 0.45 -0.55 -0.05 0.00 1.02 0.00 0.00 30.24 31.12 2ju8 n GLN 10 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2ju8 s SER 11 N -0.84 -0.46 -0.04 1.08 1.04 -1.25 -5.06 113.70 108.17 2ju8 s SER 11 Ca 0.00 0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.78 2ju8 s SER 11 Cb 0.00 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.52 2ju8 s SER 11 CO 0.00 -0.48 0.18 -1.58 0.98 0.00 0.00 173.24 172.34 2ju8 s GLN 12 N -1.50 0.36 -0.10 4.02 2.00 -1.26 -2.78 119.66 120.40 2ju8 s GLN 12 Ca -0.03 -0.03 -0.03 0.00 -2.00 0.00 0.00 55.36 53.27 2ju8 s GLN 12 Cb -0.00 0.16 -0.03 0.00 0.80 0.00 0.00 33.01 33.93 2ju8 s GLN 12 CO 0.02 -0.07 0.02 -1.21 -0.50 0.00 0.00 175.29 173.55 2ju8 s GLU 13 N -0.59 3.10 0.27 1.67 2.02 -1.25 -4.96 118.70 118.95 2ju8 s GLU 13 Ca -0.07 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.54 2ju8 s GLU 13 Cb -0.04 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.33 2ju8 s GLU 13 CO 0.01 0.68 0.00 -1.71 0.02 0.00 0.00 175.26 174.26 2ju8 n ASN 14 N 2.23 -5.61 0.08 -0.19 5.15 -1.26 -4.31 115.26 111.35 2ju8 n ASN 14 Ca -0.19 0.72 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 2ju8 n ASN 14 Cb 0.54 -2.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.48 2ju8 n ASN 14 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2ju8 n PHE 15 N -0.58 -1.85 -0.12 1.20 3.72 -1.26 -4.84 117.46 113.73 2ju8 n PHE 15 Ca 0.00 0.36 -0.05 0.00 -0.05 0.00 0.00 57.45 57.72 2ju8 n PHE 15 Cb 0.00 1.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.56 2ju8 n PHE 15 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2ju8 h GLU 16 N 0.00 -0.01 -0.51 -1.08 4.39 -1.99 0.37 114.58 115.75 2ju8 h GLU 16 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2ju8 h GLU 16 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2ju8 h GLU 16 CO 0.00 -0.01 -0.11 -1.00 -1.16 0.00 0.00 179.01 176.73 2ju8 h PRO 17 N -0.01 0.98 0.22 2.33 0.13 -1.99 -1.59 132.00 132.07 2ju8 h PRO 17 Ca 0.20 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2ju8 h PRO 17 Cb 0.31 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.38 2ju8 h PRO 17 CO -0.43 1.04 -0.11 0.35 -0.23 0.00 0.00 178.00 178.63 2ju8 h PHE 18 N 0.84 -0.27 -0.45 1.56 3.57 -1.75 -1.69 116.94 118.74 2ju8 h PHE 18 Ca 0.13 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2ju8 h PHE 18 Cb 0.67 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2ju8 h PHE 18 CO 0.05 -0.17 0.10 0.00 -2.23 0.00 0.00 178.31 176.07 2ju8 h MET 19 N -0.30 0.73 -0.80 1.11 -0.00 -0.96 -2.66 114.93 112.05 2ju8 h MET 19 Ca -0.03 -0.18 0.04 0.00 -0.00 0.00 0.00 59.70 59.53 2ju8 h MET 19 Cb 0.23 -0.09 -0.05 0.00 -0.00 0.00 0.00 31.60 31.69 2ju8 h MET 19 CO 0.05 0.73 0.51 0.87 -0.00 0.00 0.00 176.91 179.06 2ju8 h LYS 20 N 0.60 0.95 0.00 -0.10 1.57 -1.21 0.48 116.57 118.86 2ju8 h LYS 20 Ca 0.14 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2ju8 h LYS 20 Cb 0.33 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2ju8 h LYS 20 CO 0.00 0.63 -0.10 0.00 -0.57 0.00 0.00 179.45 179.41 2ju8 h ALA 21 N 1.34 1.05 -1.04 3.86 0.00 -1.18 -3.36 119.26 119.93 2ju8 h ALA 21 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2ju8 h ALA 21 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ju8 h ALA 21 CO -0.12 0.13 0.00 -0.12 0.00 0.00 0.00 179.25 179.14 2ju8 n MET 22 N -3.29 0.00 0.00 0.00 0.00 -0.43 -5.05 117.12 108.34 2ju8 n MET 22 Ca -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.70 57.78 2ju8 n MET 22 Cb 0.33 -0.45 0.00 0.00 0.00 0.00 0.00 33.22 33.10 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 1.93 -0.03 3.73 -5.12 0.00 0.16 -5.09 105.19 100.76 2ju8 n GLY 23 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.30 0.13 0.99 2.96 -0.87 -5.02 118.68 121.16 2ju8 s LEU 24 Ca 0.00 0.89 -0.30 0.00 -0.22 0.00 0.00 54.13 54.50 2ju8 s LEU 24 Cb 0.00 -2.76 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 2ju8 s LEU 24 CO 0.00 0.00 1.24 -2.16 -1.32 0.00 0.00 176.35 174.12 2ju8 s PRO 25 N 0.54 4.43 0.58 0.98 0.04 -1.26 -4.33 135.00 135.97 2ju8 s PRO 25 Ca 0.28 1.89 0.29 0.00 0.04 0.00 0.00 61.00 63.50 2ju8 s PRO 25 Cb -0.16 -3.27 1.44 0.00 0.04 0.00 0.00 34.50 32.55 2ju8 s PRO 25 CO 0.12 -0.22 1.85 1.05 0.04 0.00 0.00 177.00 179.83 2ju8 h GLU 26 N 6.05 0.00 -0.42 4.56 4.11 -1.96 -0.23 114.58 126.69 2ju8 h GLU 26 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.00 2ju8 h GLU 26 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2ju8 h GLU 26 CO 0.79 0.00 0.25 -0.44 0.07 0.00 0.00 179.01 179.68 2ju8 h ASP 27 N 0.00 0.51 -0.37 3.06 5.19 -2.01 -2.08 116.42 120.71 2ju8 h ASP 27 Ca 0.29 -0.06 -0.14 0.00 -0.62 0.00 0.00 57.03 56.50 2ju8 h ASP 27 Cb 1.45 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.83 2ju8 h ASP 27 CO -0.00 0.42 -0.31 -0.07 -3.12 0.00 0.00 179.24 176.16 2ju8 h LEU 28 N 0.55 0.95 -0.33 1.55 4.07 -1.42 -3.18 115.31 117.50 2ju8 h LEU 28 Ca 0.15 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 2ju8 h LEU 28 Cb 0.01 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 2ju8 h LEU 28 CO -0.03 1.17 0.18 0.40 -1.08 0.00 0.00 178.44 179.09 2ju8 h ILE 29 N 0.76 1.14 -0.74 1.22 5.03 -1.37 -1.53 117.51 122.02 2ju8 h ILE 29 Ca 0.08 -0.37 0.09 0.00 -0.12 0.00 0.00 64.86 64.55 2ju8 h ILE 29 Cb 0.88 0.78 -0.07 0.00 -3.03 0.00 0.00 36.82 35.38 2ju8 h ILE 29 CO 0.08 0.14 0.39 1.56 -0.68 0.00 0.00 178.15 179.64 2ju8 h GLN 30 N 0.41 0.63 -0.08 2.37 1.08 -1.40 0.29 115.11 118.42 2ju8 h GLN 30 Ca 0.12 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 2ju8 h GLN 30 Cb 0.07 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2ju8 h GLN 30 CO -0.02 0.42 -0.48 0.87 -0.95 0.00 0.00 178.83 178.67 2ju8 h LYS 31 N 0.65 0.20 0.04 1.46 1.57 -1.48 -3.23 116.57 115.77 2ju8 h LYS 31 Ca 0.36 -0.11 -0.24 0.00 -1.87 0.00 0.00 60.65 58.79 2ju8 h LYS 31 Cb 0.37 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2ju8 h LYS 31 CO -0.26 0.64 -1.19 0.78 -0.57 0.00 0.00 179.45 178.84 2ju8 h GLY 32 N 1.35 0.09 2.00 3.86 0.00 -0.17 -3.28 103.07 106.92 2ju8 h GLY 32 Ca 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2ju8 h GLY 32 CO 0.07 0.21 -0.31 0.07 0.00 0.00 0.00 176.54 176.57 2ju8 h LYS 33 N 0.02 0.00 -0.00 4.80 2.10 -0.50 -1.61 116.57 121.38 2ju8 h LYS 33 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2ju8 h LYS 33 Cb 1.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 2ju8 h LYS 33 CO 0.14 0.31 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.54 2ju8 n ASP 34 N -4.13 0.25 -4.27 7.07 8.00 -1.22 -4.72 116.55 117.53 2ju8 n ASP 34 Ca -0.02 -0.11 -0.34 0.00 0.71 0.00 0.00 54.79 55.02 2ju8 n ASP 34 Cb 0.36 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.74 2.99 -0.60 0.53 1.01 -0.61 -5.06 121.20 116.72 2ju8 s ILE 35 Ca 0.21 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.96 2ju8 s ILE 35 Cb 0.19 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 2ju8 s ILE 35 CO 0.53 0.46 1.63 -0.54 0.00 0.00 0.00 174.94 177.02 2ju8 s LYS 36 N 1.31 2.98 1.24 2.79 1.02 -1.26 -4.88 119.74 122.93 2ju8 s LYS 36 Ca 0.04 0.49 -0.15 0.00 0.02 0.00 0.00 55.97 56.36 2ju8 s LYS 36 Cb -0.14 -4.26 0.30 0.00 -0.52 0.00 0.00 37.83 33.21 2ju8 s LYS 36 CO -0.05 -2.33 0.90 0.41 -0.92 0.00 0.00 175.35 173.36 2ju8 n GLY 37 N 5.49 -2.45 3.31 -3.33 0.00 -1.26 -4.82 105.19 102.14 2ju8 n GLY 37 Ca 0.15 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.33 1.95 -0.04 1.61 1.01 -1.10 -2.85 120.40 118.65 2ju8 s VAL 38 Ca 0.67 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2ju8 s VAL 38 Cb -0.23 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2ju8 s VAL 38 CO 0.64 0.24 -0.05 -0.44 0.00 0.00 0.00 175.10 175.50 2ju8 s SER 39 N -1.38 0.96 -0.08 3.32 0.01 -0.20 -2.39 113.70 113.94 2ju8 s SER 39 Ca 0.10 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2ju8 s SER 39 Cb -0.10 -0.45 0.02 0.00 0.21 0.00 0.00 66.02 65.70 2ju8 s SER 39 CO 0.03 -0.05 -0.07 -1.61 0.41 0.00 0.00 173.24 171.94 2ju8 s GLU 40 N 0.92 1.32 -0.25 12.44 2.02 -0.35 -1.03 118.70 133.77 2ju8 s GLU 40 Ca -0.11 -0.22 -0.06 0.00 0.02 0.00 0.00 54.97 54.60 2ju8 s GLU 40 Cb -0.14 -1.31 -0.01 0.00 0.10 0.00 0.00 34.13 32.76 2ju8 s GLU 40 CO 0.00 -0.15 0.03 0.42 0.02 0.00 0.00 175.26 175.58 2ju8 s ILE 41 N 1.28 3.90 -0.30 -1.63 1.01 -0.73 -1.76 121.20 122.98 2ju8 s ILE 41 Ca -0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2ju8 s ILE 41 Cb -0.14 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2ju8 s ILE 41 CO -0.03 0.33 0.09 -0.69 0.00 0.00 0.00 174.94 174.64 2ju8 s VAL 42 N 1.54 4.01 -0.31 2.92 1.01 -0.75 -1.67 120.40 127.15 2ju8 s VAL 42 Ca 0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 2ju8 s VAL 42 Cb -0.15 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2ju8 s VAL 42 CO 0.01 0.07 0.17 -2.28 0.00 0.00 0.00 175.10 173.07 2ju8 s HIS 43 N 1.51 3.19 -0.28 5.22 5.04 -1.26 -0.91 115.29 127.79 2ju8 s HIS 43 Ca 0.03 -0.44 -0.03 0.00 -1.54 0.00 0.00 55.06 53.08 2ju8 s HIS 43 Cb -0.17 -2.38 0.09 0.00 0.04 0.00 0.00 32.58 30.17 2ju8 s HIS 43 CO 0.03 -0.41 0.12 -2.00 -2.34 0.00 0.00 174.74 170.13 2ju8 s GLU 44 N 1.65 0.30 -0.83 2.88 2.12 0.05 -4.88 118.70 119.98 2ju8 s GLU 44 Ca 0.05 -0.59 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 2ju8 s GLU 44 Cb -0.17 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.79 2ju8 s GLU 44 CO 0.07 -0.96 0.64 0.41 -0.54 0.00 0.00 175.26 174.88 2ju8 n GLY 45 N 5.17 -1.27 4.58 -1.50 0.00 -1.26 -0.94 105.19 109.97 2ju8 n GLY 45 Ca -0.05 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.55 0.00 -3.05 1.61 5.02 -1.26 -4.90 118.16 113.03 2ju8 n LYS 46 Ca -0.22 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.64 2ju8 n LYS 46 Cb 0.63 -2.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.23 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 3.27 -0.17 1.97 1.02 -0.12 -3.46 119.74 122.27 2ju8 s LYS 47 Ca 0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.53 2ju8 s LYS 47 Cb 0.00 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 2ju8 s LYS 47 CO 0.00 -1.14 -0.04 0.08 -0.92 0.00 0.00 175.35 173.33 2ju8 s VAL 48 N 3.03 3.83 -0.13 3.17 1.01 -1.16 -0.77 120.40 129.37 2ju8 s VAL 48 Ca 0.23 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2ju8 s VAL 48 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2ju8 s VAL 48 CO 0.18 0.48 0.00 -0.54 0.00 0.00 0.00 175.10 175.23 2ju8 s LYS 49 N 0.54 3.45 -0.21 2.72 1.02 -0.09 -3.06 119.74 124.11 2ju8 s LYS 49 Ca -0.03 -0.42 -0.07 0.00 0.02 0.00 0.00 55.97 55.47 2ju8 s LYS 49 Cb -0.14 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2ju8 s LYS 49 CO 0.03 0.45 0.04 -1.17 -0.92 0.00 0.00 175.35 173.78 2ju8 s LEU 50 N -0.18 3.51 -0.12 3.17 1.98 -1.02 -1.82 118.68 124.20 2ju8 s LEU 50 Ca 0.05 -0.11 0.03 0.00 -2.89 0.00 0.00 54.13 51.22 2ju8 s LEU 50 Cb -0.12 -1.90 0.01 0.00 0.66 0.00 0.00 46.19 44.83 2ju8 s LEU 50 CO 0.02 0.07 -0.22 -0.89 -1.89 0.00 0.00 176.35 173.44 2ju8 s THR 51 N 0.97 1.99 -0.08 3.68 2.01 -0.72 -1.84 115.64 121.64 2ju8 s THR 51 Ca 0.03 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.08 2ju8 s THR 51 Cb -0.14 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.65 2ju8 s THR 51 CO 0.02 0.54 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.77 2ju8 s ILE 52 N 0.61 1.04 -0.14 1.82 -1.09 -0.33 -1.22 121.20 121.89 2ju8 s ILE 52 Ca -0.13 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 2ju8 s ILE 52 Cb -0.17 -1.00 -0.02 0.00 -1.58 0.00 0.00 42.46 39.69 2ju8 s ILE 52 CO 0.03 0.35 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.14 2ju8 s THR 53 N 1.13 3.65 -0.26 2.92 2.01 -1.00 -0.99 115.64 123.10 2ju8 s THR 53 Ca -0.06 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2ju8 s THR 53 Cb -0.14 -2.58 0.06 0.00 0.01 0.00 0.00 72.50 69.85 2ju8 s THR 53 CO -0.02 0.51 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.03 2ju8 s TYR 54 N 0.29 3.08 0.00 4.92 2.02 -0.25 -2.71 117.35 124.69 2ju8 s TYR 54 Ca -0.05 -2.23 0.00 0.00 -0.37 0.00 0.00 57.07 54.42 2ju8 s TYR 54 Cb -0.14 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 2ju8 s TYR 54 CO 0.04 -0.86 0.00 0.41 -1.57 0.00 0.00 175.55 173.57 2ju8 n GLY 55 N 4.48 1.02 0.25 0.71 0.00 -1.26 -1.52 105.19 108.88 2ju8 n GLY 55 Ca -0.12 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 3.10 0.16 -4.49 1.61 3.41 -1.26 -5.07 113.62 111.07 2ju8 n SER 56 Ca 0.00 -1.61 -0.33 0.00 -0.26 0.00 0.00 58.87 56.66 2ju8 n SER 56 Cb 0.00 -0.12 -0.13 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.15 3.04 -0.18 4.33 2.20 -0.57 -5.11 119.74 123.31 2ju8 s LYS 57 Ca 0.01 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 2ju8 s LYS 57 Cb 0.01 -2.62 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2ju8 s LYS 57 CO 0.00 0.46 -0.03 0.08 -0.36 0.00 0.00 175.35 175.50 2ju8 s VAL 58 N -0.27 3.79 -0.25 4.02 1.01 -1.26 -1.09 120.40 126.34 2ju8 s VAL 58 Ca 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2ju8 s VAL 58 Cb -0.13 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2ju8 s VAL 58 CO 0.03 0.46 -0.02 -0.63 0.00 0.00 0.00 175.10 174.93 2ju8 s ILE 59 N 0.74 3.27 -0.07 2.22 -1.09 -0.16 -4.99 121.20 121.12 2ju8 s ILE 59 Ca -0.01 -0.79 0.02 0.00 -2.23 0.00 0.00 60.65 57.64 2ju8 s ILE 59 Cb -0.14 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.10 2ju8 s ILE 59 CO 0.02 0.24 -0.14 -1.38 -1.23 0.00 0.00 174.94 172.45 2ju8 s HIS 60 N 1.41 2.73 0.06 3.97 -3.43 -1.26 -1.18 115.29 117.59 2ju8 s HIS 60 Ca 0.02 -0.31 -0.01 0.00 -0.80 0.00 0.00 55.06 53.96 2ju8 s HIS 60 Cb -0.16 -1.70 -0.04 0.00 -1.43 0.00 0.00 32.58 29.25 2ju8 s HIS 60 CO -0.03 0.06 -0.03 -0.80 -2.00 0.00 0.00 174.74 171.94 2ju8 s ASN 61 N -0.39 0.58 -0.01 7.38 0.02 -0.77 -5.01 114.94 116.74 2ju8 s ASN 61 Ca 0.04 -1.02 0.01 0.00 -1.02 0.00 0.00 52.86 50.87 2ju8 s ASN 61 Cb -0.12 0.19 0.01 0.00 0.02 0.00 0.00 41.25 41.35 2ju8 s ASN 61 CO 0.02 -0.59 -0.01 -0.70 0.02 0.00 0.00 177.10 175.84 2ju8 s GLU 62 N -3.92 0.23 0.01 -0.60 2.12 -1.26 -2.43 118.70 112.86 2ju8 s GLU 62 Ca 0.09 -0.01 -0.13 0.00 0.36 0.00 0.00 54.97 55.27 2ju8 s GLU 62 Cb 0.08 -0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.17 2ju8 s GLU 62 CO -0.08 -0.03 0.28 -0.59 -0.54 0.00 0.00 175.26 174.29 2ju8 s PHE 63 N 0.41 -0.11 -0.18 5.30 -0.12 -1.17 -4.96 117.98 117.15 2ju8 s PHE 63 Ca -0.04 0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 56.87 2ju8 s PHE 63 Cb -0.07 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 2ju8 s PHE 63 CO -0.01 -0.41 0.01 0.99 -0.05 0.00 0.00 175.22 175.74 2ju8 s THR 64 N -1.80 4.18 0.32 -4.49 2.01 -1.26 -3.01 115.64 111.59 2ju8 s THR 64 Ca -0.10 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 2ju8 s THR 64 Cb -0.04 -2.87 -0.12 0.00 0.01 0.00 0.00 72.50 69.49 2ju8 s THR 64 CO 0.01 0.46 1.55 0.18 -0.69 0.00 0.00 174.62 176.13 2ju8 n LEU 65 N 3.81 4.45 -2.60 4.42 4.77 -1.22 -2.12 117.00 128.50 2ju8 n LEU 65 Ca -0.17 1.17 -0.19 0.00 -0.03 0.00 0.00 56.01 56.79 2ju8 n LEU 65 Cb 0.52 -1.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.04 2ju8 n LEU 65 CO 0.33 0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 177.11 2ju8 n GLY 66 N 1.61 -0.36 3.46 -0.72 0.00 -0.44 -4.99 105.19 103.76 2ju8 n GLY 66 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 2ju8 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju8 s GLU 67 N -5.50 0.54 -0.18 1.61 2.12 -0.90 -5.05 118.70 111.34 2ju8 s GLU 67 Ca 0.25 1.06 -0.29 0.00 0.36 0.00 0.00 54.97 56.34 2ju8 s GLU 67 Cb -0.11 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 2ju8 s GLU 67 CO 0.31 -0.17 1.31 -2.00 -0.54 0.00 0.00 175.26 174.17 2ju8 s GLU 68 N 1.74 4.17 0.24 4.30 2.12 -1.26 -3.99 118.70 126.03 2ju8 s GLU 68 Ca -0.09 1.65 0.11 0.00 0.36 0.00 0.00 54.97 57.01 2ju8 s GLU 68 Cb -0.08 -3.81 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2ju8 s GLU 68 CO -0.16 -0.79 -0.19 0.00 -0.54 0.00 0.00 175.26 173.57 2ju8 s GLU 70 N -3.18 4.02 0.04 0.00 2.12 -1.26 -1.40 118.70 119.04 2ju8 s GLU 70 Ca 0.26 0.04 0.09 0.00 0.36 0.00 0.00 54.97 55.73 2ju8 s GLU 70 Cb -0.06 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 2ju8 s GLU 70 CO 0.14 -0.26 -0.25 -1.17 -0.54 0.00 0.00 175.26 173.17 2ju8 s LEU 71 N 2.03 2.25 0.22 2.70 2.96 -0.23 -4.94 118.68 123.66 2ju8 s LEU 71 Ca 0.15 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 2ju8 s LEU 71 Cb -0.16 -1.33 -0.08 0.00 0.50 0.00 0.00 46.19 45.12 2ju8 s LEU 71 CO 0.10 0.26 0.64 -1.83 -1.32 0.00 0.00 176.35 174.20 2ju8 s GLU 72 N -1.27 4.03 0.71 1.98 -1.05 -1.26 -1.58 118.70 120.27 2ju8 s GLU 72 Ca 0.12 0.60 -0.01 0.00 -0.15 0.00 0.00 54.97 55.54 2ju8 s GLU 72 Cb -0.10 -2.75 0.12 0.00 -0.44 0.00 0.00 34.13 30.96 2ju8 s GLU 72 CO 0.03 0.35 0.99 -0.08 0.95 0.00 0.00 175.26 177.49 2ju8 s THR 73 N -1.66 2.15 -0.29 1.83 -1.32 -0.14 -4.93 115.64 111.28 2ju8 s THR 73 Ca 0.45 -0.60 0.25 0.00 -1.21 0.00 0.00 61.69 60.57 2ju8 s THR 73 Cb -0.14 -2.55 0.26 0.00 -1.51 0.00 0.00 72.50 68.57 2ju8 s THR 73 CO 0.20 0.00 1.75 -0.03 -2.21 0.00 0.00 174.62 174.32 2ju8 h MET 74 N -0.50 0.00 -0.00 7.08 4.05 -1.98 -1.25 114.93 122.32 2ju8 h MET 74 Ca -0.36 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 2ju8 h MET 74 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2ju8 h MET 74 CO 0.41 0.00 -0.57 0.25 0.23 0.00 0.00 176.91 177.23 2ju8 n THR 75 N -2.36 0.00 -0.08 -0.77 -2.24 -1.26 -4.94 114.28 102.63 2ju8 n THR 75 Ca 0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2ju8 n THR 75 Cb 0.17 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.46 0.52 3.76 3.38 0.00 -0.47 -5.06 105.19 108.78 2ju8 n GLY 76 Ca 0.07 0.00 -0.40 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 -0.84 4.58 -0.27 1.61 2.12 -1.26 -4.69 118.70 119.95 2ju8 s GLU 77 Ca 0.00 1.84 -0.19 0.00 0.36 0.00 0.00 54.97 56.98 2ju8 s GLU 77 Cb 0.00 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 2ju8 s GLU 77 CO 0.00 0.15 0.56 0.15 -0.54 0.00 0.00 175.26 175.58 2ju8 s LYS 78 N -1.54 4.03 0.09 4.30 -0.14 -1.26 -0.96 119.74 124.25 2ju8 s LYS 78 Ca 0.46 0.34 0.09 0.00 -1.36 0.00 0.00 55.97 55.50 2ju8 s LYS 78 Cb -0.32 -3.67 -0.03 0.00 -1.68 0.00 0.00 37.83 32.12 2ju8 s LYS 78 CO 0.42 -0.42 -0.23 0.14 -0.76 0.00 0.00 175.35 174.50 2ju8 s VAL 79 N 2.41 1.89 -0.12 3.17 -7.23 -0.61 -4.99 120.40 114.92 2ju8 s VAL 79 Ca 0.23 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 58.77 2ju8 s VAL 79 Cb -0.15 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 2ju8 s VAL 79 CO 0.10 0.09 0.30 -1.59 -0.31 0.00 0.00 175.10 173.69 2ju8 s LYS 80 N -1.69 4.07 -0.07 4.82 -2.85 -1.26 -1.07 119.74 121.69 2ju8 s LYS 80 Ca 0.09 0.15 -0.09 0.00 -1.00 0.00 0.00 55.97 55.12 2ju8 s LYS 80 Cb -0.10 -3.35 0.02 0.00 -2.06 0.00 0.00 37.83 32.35 2ju8 s LYS 80 CO 0.04 0.41 0.23 0.00 0.10 0.00 0.00 175.35 176.13 2ju8 s ALA 81 N -0.08 -0.58 -0.22 0.59 0.00 -0.50 -4.12 121.76 116.86 2ju8 s ALA 81 Ca 0.18 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 2ju8 s ALA 81 Cb -0.14 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2ju8 s ALA 81 CO 0.06 -0.14 -0.08 0.54 0.00 0.00 0.00 175.76 176.14 2ju8 s VAL 82 N -0.24 2.96 -0.21 0.00 0.11 -1.16 -0.36 120.40 121.49 2ju8 s VAL 82 Ca -0.04 -0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 58.24 2ju8 s VAL 82 Cb -0.03 -2.37 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 2ju8 s VAL 82 CO 0.01 0.39 -0.00 0.54 -3.33 0.00 0.00 175.10 172.71 2ju8 s VAL 83 N 1.40 3.84 0.07 2.04 0.11 -1.26 -2.83 120.40 123.78 2ju8 s VAL 83 Ca 0.04 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 2ju8 s VAL 83 Cb -0.15 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 2ju8 s VAL 83 CO -0.06 0.41 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.47 2ju8 s LYS 84 N 1.25 0.72 -0.01 1.54 1.02 -0.76 -1.33 119.74 122.17 2ju8 s LYS 84 Ca 0.03 -0.93 -0.06 0.00 0.02 0.00 0.00 55.97 55.03 2ju8 s LYS 84 Cb -0.15 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 2ju8 s LYS 84 CO 0.01 0.11 0.24 0.00 -0.92 0.00 0.00 175.35 174.78 2ju8 s MET 85 N -1.95 3.54 0.00 1.68 0.23 -1.26 -0.90 119.30 120.64 2ju8 s MET 85 Ca -0.03 -0.13 0.22 0.00 -1.03 0.00 0.00 55.69 54.72 2ju8 s MET 85 Cb -0.08 -3.10 -0.15 0.00 -1.53 0.00 0.00 34.83 29.97 2ju8 s MET 85 CO 0.01 0.67 0.89 -1.91 -2.03 0.00 0.00 175.02 172.66 2ju8 n GLU 86 N 1.20 0.15 0.00 3.16 4.07 0.60 -4.77 120.64 125.05 2ju8 n GLU 86 Ca -0.12 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 2ju8 n GLU 86 Cb 0.53 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.39 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 0.58 3.72 8.31 0.00 -0.63 -4.92 105.19 113.69 2ju8 n GLY 87 Ca 0.03 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 2ju8 n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ju8 s ASP 88 N -4.00 6.68 -0.33 1.61 2.15 -1.26 -4.18 116.67 117.33 2ju8 s ASP 88 Ca 0.00 0.81 0.00 0.00 0.43 0.00 0.00 52.55 53.79 2ju8 s ASP 88 Cb 0.00 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 2ju8 s ASP 88 CO 0.00 -0.02 0.00 -0.46 -0.17 0.00 0.00 175.17 174.52 2ju8 n ASN 89 N 3.78 -3.35 -3.78 -0.34 6.94 -0.70 -4.87 115.26 112.95 2ju8 n ASN 89 Ca -0.07 0.08 -0.19 0.00 -0.02 0.00 0.00 54.58 54.38 2ju8 n ASN 89 Cb 0.51 -2.41 -0.17 0.00 -2.36 0.00 0.00 39.78 35.35 2ju8 n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2ju8 s LYS 90 N -1.63 0.28 -0.03 -3.83 1.02 -1.26 -2.80 119.74 111.49 2ju8 s LYS 90 Ca 0.00 0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.13 2ju8 s LYS 90 Cb 0.00 -0.59 0.02 0.00 -0.52 0.00 0.00 37.83 36.74 2ju8 s LYS 90 CO 0.00 -0.21 0.07 -1.64 -0.92 0.00 0.00 175.35 172.64 2ju8 s MET 91 N 1.47 0.03 -0.24 1.68 -1.94 -0.71 -0.29 119.30 119.30 2ju8 s MET 91 Ca -0.03 0.19 -0.04 0.00 -1.71 0.00 0.00 55.69 54.10 2ju8 s MET 91 Cb -0.13 -0.13 0.00 0.00 2.01 0.00 0.00 34.83 36.58 2ju8 s MET 91 CO -0.03 -0.11 -0.03 0.08 -0.01 0.00 0.00 175.02 174.92 2ju8 s VAL 92 N 0.73 3.34 -0.07 -6.03 1.01 -0.08 -2.68 120.40 116.62 2ju8 s VAL 92 Ca -0.06 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2ju8 s VAL 92 Cb -0.08 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2ju8 s VAL 92 CO -0.03 0.32 -0.02 0.28 0.00 0.00 0.00 175.10 175.65 2ju8 s THR 93 N 1.45 0.51 -0.01 3.92 -1.32 -0.96 -1.83 115.64 117.40 2ju8 s THR 93 Ca 0.04 -0.01 0.05 0.00 -1.21 0.00 0.00 61.69 60.57 2ju8 s THR 93 Cb -0.15 -0.61 -0.01 0.00 -1.51 0.00 0.00 72.50 70.21 2ju8 s THR 93 CO -0.03 0.26 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.58 2ju8 s THR 94 N 1.61 1.40 -0.02 5.08 2.01 -1.13 -2.41 115.64 122.17 2ju8 s THR 94 Ca -0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2ju8 s THR 94 Cb -0.13 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.24 2ju8 s THR 94 CO -0.04 0.38 0.01 0.72 -0.69 0.00 0.00 174.62 175.00 2ju8 s PHE 95 N -0.43 0.20 0.00 4.92 -0.71 -1.19 -3.00 117.98 117.77 2ju8 s PHE 95 Ca 0.07 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 2ju8 s PHE 95 Cb -0.07 -0.33 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 2ju8 s PHE 95 CO -0.01 -0.11 0.00 1.63 -1.34 0.00 0.00 175.22 175.40 2ju8 n LYS 96 N 4.10 0.00 -0.28 1.99 5.02 -1.26 -1.36 118.16 126.38 2ju8 n LYS 96 Ca -0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 2ju8 n LYS 96 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 0.00 0.09 3.73 0.72 0.00 -1.26 -5.11 105.19 103.36 2ju8 n GLY 97 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.73 -0.30 -0.61 -1.09 -0.46 -5.05 121.20 118.41 2ju8 s ILE 98 Ca 0.00 -0.08 -0.15 0.00 -2.23 0.00 0.00 60.65 58.19 2ju8 s ILE 98 Cb 0.00 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 2ju8 s ILE 98 CO 0.00 0.58 0.35 -0.75 -1.23 0.00 0.00 174.94 173.89 2ju8 s LYS 99 N -0.68 3.84 -0.16 2.79 2.36 -1.25 -3.16 119.74 123.49 2ju8 s LYS 99 Ca 0.12 -0.16 0.01 0.00 -2.55 0.00 0.00 55.97 53.38 2ju8 s LYS 99 Cb -0.12 -3.71 0.02 0.00 -1.05 0.00 0.00 37.83 32.97 2ju8 s LYS 99 CO 0.02 -0.36 -0.18 -1.12 1.55 0.00 0.00 175.35 175.27 2ju8 s SER 100 N 1.69 2.90 -0.14 1.43 0.01 -1.01 -2.85 113.70 115.73 2ju8 s SER 100 Ca 0.13 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2ju8 s SER 100 Cb -0.16 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.76 2ju8 s SER 100 CO 0.11 -0.01 -0.16 -0.69 0.41 0.00 0.00 173.24 172.90 2ju8 s VAL 101 N 1.29 1.62 -0.14 3.43 1.01 -0.63 -2.27 120.40 124.72 2ju8 s VAL 101 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2ju8 s VAL 101 Cb -0.13 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2ju8 s VAL 101 CO -0.10 0.47 -0.14 -0.89 0.00 0.00 0.00 175.10 174.44 2ju8 s THR 102 N 1.28 2.91 -0.23 3.92 2.01 -1.09 -0.48 115.64 123.95 2ju8 s THR 102 Ca 0.01 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 2ju8 s THR 102 Cb -0.14 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2ju8 s THR 102 CO -0.08 0.52 0.32 -1.61 -0.69 0.00 0.00 174.62 173.08 2ju8 s GLU 103 N 0.52 4.09 -0.30 4.92 2.02 -0.24 -1.74 118.70 127.97 2ju8 s GLU 103 Ca -0.09 0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.80 2ju8 s GLU 103 Cb -0.16 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 2ju8 s GLU 103 CO 0.04 -0.09 0.18 0.12 0.02 0.00 0.00 175.26 175.54 2ju8 s PHE 104 N 1.48 3.20 0.14 1.61 5.36 -1.12 -2.80 117.98 125.86 2ju8 s PHE 104 Ca 0.14 -0.20 0.09 0.00 -0.96 0.00 0.00 56.93 56.00 2ju8 s PHE 104 Cb -0.15 -2.39 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 2ju8 s PHE 104 CO 0.08 -0.31 -0.20 -0.80 -1.46 0.00 0.00 175.22 172.53 2ju8 s ASN 105 N 1.70 2.72 0.00 6.13 0.02 -1.01 -1.72 114.94 122.77 2ju8 s ASN 105 Ca 0.06 -0.80 0.00 0.00 -1.02 0.00 0.00 52.86 51.10 2ju8 s ASN 105 Cb -0.17 -0.16 0.00 0.00 0.02 0.00 0.00 41.25 40.94 2ju8 s ASN 105 CO 0.09 0.02 1.90 0.61 0.02 0.00 0.00 177.10 179.73 2ju8 n GLY 106 N 0.58 2.41 0.00 0.66 0.00 -1.26 -3.50 105.19 104.08 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 1.49 0.00 -3.92 1.61 5.75 -1.26 -5.08 116.55 115.14 2ju8 n ASP 107 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.68 2ju8 n ASP 107 Cb 0.48 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 2ju8 n ASP 107 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2ju8 s THR 108 N -0.35 0.07 -0.14 2.12 -4.23 -1.23 -1.53 115.64 110.34 2ju8 s THR 108 Ca 0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 2ju8 s THR 108 Cb 0.00 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.66 2ju8 s THR 108 CO 0.00 -0.30 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.02 2ju8 s ILE 109 N -0.91 1.48 -0.06 2.99 -1.09 -1.14 -2.42 121.20 120.05 2ju8 s ILE 109 Ca -0.10 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2ju8 s ILE 109 Cb -0.06 -1.40 -0.02 0.00 -1.58 0.00 0.00 42.46 39.40 2ju8 s ILE 109 CO -0.00 0.44 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.08 2ju8 s THR 110 N 1.48 2.76 -0.03 2.92 2.01 -1.12 -2.91 115.64 120.75 2ju8 s THR 110 Ca 0.04 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.28 2ju8 s THR 110 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2ju8 s THR 110 CO -0.10 0.58 -0.23 0.21 -0.69 0.00 0.00 174.62 174.39 2ju8 s ASN 111 N -0.50 2.76 -0.18 3.53 2.47 -1.15 -1.08 114.94 120.80 2ju8 s ASN 111 Ca 0.06 -0.43 0.01 0.00 0.42 0.00 0.00 52.86 52.92 2ju8 s ASN 111 Cb -0.12 -0.44 0.02 0.00 -1.45 0.00 0.00 41.25 39.27 2ju8 s ASN 111 CO 0.01 0.27 -0.20 -0.89 -3.72 0.00 0.00 177.10 172.57 2ju8 s THR 112 N -0.42 2.05 -0.14 -5.21 2.01 0.37 -2.49 115.64 111.81 2ju8 s THR 112 Ca 0.05 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.12 2ju8 s THR 112 Cb -0.10 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.58 2ju8 s THR 112 CO 0.00 0.54 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.29 2ju8 s MET 113 N 1.24 2.29 -0.16 4.92 -1.94 -0.18 -1.60 119.30 123.88 2ju8 s MET 113 Ca 0.04 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.47 2ju8 s MET 113 Cb -0.13 -2.08 0.02 0.00 2.01 0.00 0.00 34.83 34.65 2ju8 s MET 113 CO -0.12 -0.21 -0.19 0.99 -0.01 0.00 0.00 175.02 175.49 2ju8 s THR 114 N 1.41 1.92 -0.15 2.05 2.01 -1.13 -1.05 115.64 120.69 2ju8 s THR 114 Ca 0.03 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 2ju8 s THR 114 Cb -0.13 -1.74 0.07 0.00 0.01 0.00 0.00 72.50 70.71 2ju8 s THR 114 CO -0.09 0.52 0.22 -1.48 -0.69 0.00 0.00 174.62 173.09 2ju8 s LEU 115 N 1.25 -0.16 -0.98 4.42 2.34 -1.02 -3.85 118.68 120.67 2ju8 s LEU 115 Ca 0.03 0.18 -0.02 0.00 0.06 0.00 0.00 54.13 54.38 2ju8 s LEU 115 Cb -0.13 0.45 0.00 0.00 -0.56 0.00 0.00 46.19 45.95 2ju8 s LEU 115 CO -0.10 -0.28 0.82 0.61 -1.06 0.00 0.00 176.35 176.34 2ju8 n GLY 116 N 5.33 -0.20 3.33 -3.48 0.00 -1.26 -2.24 105.19 106.67 2ju8 n GLY 116 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2ju8 n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju8 n ASP 117 N -2.53 -1.54 -4.77 1.61 2.03 -1.26 -4.96 116.55 105.13 2ju8 n ASP 117 Ca -0.17 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.75 2ju8 n ASP 117 Cb 0.61 -1.86 -0.06 0.00 -0.72 0.00 0.00 41.12 39.09 2ju8 n ASP 117 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ju8 s ILE 118 N -1.85 4.78 -0.24 5.18 1.01 -0.95 -5.06 121.20 124.07 2ju8 s ILE 118 Ca 0.00 1.35 -0.04 0.00 0.00 0.00 0.00 60.65 61.96 2ju8 s ILE 118 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2ju8 s ILE 118 CO 0.00 0.46 -0.02 -0.69 0.00 0.00 0.00 174.94 174.69 2ju8 s VAL 119 N -0.50 3.41 -0.21 2.92 1.01 -1.26 -2.45 120.40 123.32 2ju8 s VAL 119 Ca 0.32 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2ju8 s VAL 119 Cb -0.19 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2ju8 s VAL 119 CO 0.20 0.30 -0.12 -0.47 0.00 0.00 0.00 175.10 175.01 2ju8 s TYR 120 N 1.45 2.93 -0.09 5.22 5.04 -0.22 -4.47 117.35 127.22 2ju8 s TYR 120 Ca 0.04 -1.50 0.01 0.00 -2.44 0.00 0.00 57.07 53.18 2ju8 s TYR 120 Cb -0.15 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.17 2ju8 s TYR 120 CO -0.02 -0.73 -0.09 0.21 -1.34 0.00 0.00 175.55 173.57 2ju8 s LYS 121 N 1.33 1.59 -0.24 4.97 2.20 -1.26 -1.01 119.74 127.32 2ju8 s LYS 121 Ca 0.03 -0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.23 2ju8 s LYS 121 Cb -0.15 -1.50 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 2ju8 s LYS 121 CO -0.08 -0.14 0.12 0.50 -0.36 0.00 0.00 175.35 175.39 2ju8 s ARG 122 N 1.26 3.92 -0.25 4.03 3.52 -1.04 -3.77 118.95 126.62 2ju8 s ARG 122 Ca -0.03 -0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 55.14 2ju8 s ARG 122 Cb -0.14 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 2ju8 s ARG 122 CO -0.03 0.00 0.08 0.08 -0.81 0.00 0.00 175.30 174.62 2ju8 s VAL 123 N 1.17 4.43 0.03 7.11 1.01 -1.12 -2.91 120.40 130.12 2ju8 s VAL 123 Ca 0.06 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2ju8 s VAL 123 Cb -0.14 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2ju8 s VAL 123 CO 0.05 0.34 -0.14 -0.44 0.00 0.00 0.00 175.10 174.90 2ju8 s SER 124 N 1.56 1.70 0.08 3.32 0.01 -1.14 -0.99 113.70 118.23 2ju8 s SER 124 Ca 0.06 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.93 2ju8 s SER 124 Cb -0.15 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2ju8 s SER 124 CO 0.04 0.06 -0.01 -1.59 0.41 0.00 0.00 173.24 172.15 2ju8 s LYS 125 N -1.04 2.53 0.28 12.44 -2.85 -0.60 -2.89 119.74 127.61 2ju8 s LYS 125 Ca 0.02 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 53.87 2ju8 s LYS 125 Cb -0.08 -2.53 -0.10 0.00 -2.06 0.00 0.00 37.83 33.07 2ju8 s LYS 125 CO 0.01 0.54 1.22 0.50 0.10 0.00 0.00 175.35 177.72 2ju8 s ARG 126 N -2.23 4.48 0.00 1.78 3.52 -0.58 -1.51 118.95 124.40 2ju8 s ARG 126 Ca 0.25 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 2ju8 s ARG 126 Cb -0.12 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 2ju8 s ARG 126 CO 0.17 -0.03 0.00 0.44 -0.81 0.00 0.00 175.30 175.07