#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 6.79 0.00 3.17 4.22 -1.26 -4.73 114.94 123.13 2ju8 s ASN 2 Ca 0.00 0.79 0.00 0.00 -2.14 0.00 0.00 52.86 51.51 2ju8 s ASN 2 Cb 0.00 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 40.03 2ju8 s ASN 2 CO 0.00 -0.86 0.00 0.49 -2.04 0.00 0.00 177.10 174.69 2ju8 n PHE 3 N 6.81 -0.07 -3.97 1.54 3.72 -1.26 -4.92 117.46 119.31 2ju8 n PHE 3 Ca 0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.13 2ju8 n PHE 3 Cb 0.48 0.07 -0.08 0.00 -0.94 0.00 0.00 39.48 39.01 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 -2.89 5.99 0.00 4.37 0.15 -1.26 -4.65 113.70 115.42 2ju8 s SER 4 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2ju8 s SER 4 Cb 0.00 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2ju8 s SER 4 CO 0.00 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2ju8 n GLY 5 N 2.57 1.36 3.60 9.45 0.00 -1.07 -5.02 105.19 116.07 2ju8 n GLY 5 Ca -0.18 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 3.94 0.07 1.61 2.20 -1.26 -3.13 119.74 121.17 2ju8 s LYS 6 Ca 0.00 0.06 0.08 0.00 -0.36 0.00 0.00 55.97 55.75 2ju8 s LYS 6 Cb 0.00 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 2ju8 s LYS 6 CO 0.00 -0.37 -0.20 0.71 -0.36 0.00 0.00 175.35 175.12 2ju8 s TYR 7 N 2.19 2.49 -0.10 4.03 1.51 -0.78 -2.00 117.35 124.69 2ju8 s TYR 7 Ca 0.17 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.97 2ju8 s TYR 7 Cb -0.16 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2ju8 s TYR 7 CO 0.10 0.28 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.48 2ju8 s GLN 8 N -1.66 2.67 0.05 -0.62 2.00 -0.83 -2.30 119.66 118.98 2ju8 s GLN 8 Ca 0.15 -0.74 -0.31 0.00 -2.00 0.00 0.00 55.36 52.46 2ju8 s GLN 8 Cb -0.10 -2.10 -0.06 0.00 0.80 0.00 0.00 33.01 31.54 2ju8 s GLN 8 CO 0.06 0.07 1.36 0.08 -0.50 0.00 0.00 175.29 176.36 2ju8 s VAL 9 N 0.60 3.62 -0.16 1.34 1.01 -0.81 -2.68 120.40 123.33 2ju8 s VAL 9 Ca -0.14 1.10 0.14 0.00 0.00 0.00 0.00 61.98 63.08 2ju8 s VAL 9 Cb -0.17 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.31 2ju8 s VAL 9 CO 0.04 0.05 0.05 0.00 0.00 0.00 0.00 175.10 175.23 2ju8 n GLN 10 N 4.57 1.39 -3.60 2.72 6.02 -0.22 -3.87 117.38 124.39 2ju8 n GLN 10 Ca 0.12 -0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.04 2ju8 n GLN 10 Cb 0.44 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 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 -4.98 -0.30 -0.02 1.08 1.04 -1.26 -4.99 113.70 104.28 2ju8 s SER 11 Ca -0.09 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.09 2ju8 s SER 11 Cb 0.05 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2ju8 s SER 11 CO 0.64 -0.77 0.18 -1.58 0.98 0.00 0.00 173.24 172.69 2ju8 s GLN 12 N -3.24 0.45 -0.20 4.02 2.00 -1.26 -3.18 119.66 118.25 2ju8 s GLN 12 Ca 0.08 -0.21 -0.13 0.00 -2.00 0.00 0.00 55.36 53.10 2ju8 s GLN 12 Cb -0.01 0.19 -0.05 0.00 0.80 0.00 0.00 33.01 33.95 2ju8 s GLN 12 CO -0.05 -0.10 0.25 -1.21 -0.50 0.00 0.00 175.29 173.68 2ju8 s GLU 13 N -1.03 4.17 0.36 1.67 0.41 -1.25 -4.92 118.70 118.11 2ju8 s GLU 13 Ca -0.11 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.40 2ju8 s GLU 13 Cb -0.06 -3.49 0.00 0.00 -1.78 0.00 0.00 34.13 28.81 2ju8 s GLU 13 CO 0.02 0.13 0.00 0.09 -0.49 0.00 0.00 175.26 175.01 2ju8 n ASN 14 N 4.00 -5.68 0.13 -0.19 3.02 -1.26 -4.54 115.26 110.73 2ju8 n ASN 14 Ca -0.13 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2ju8 n ASN 14 Cb 0.52 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 2ju8 n ASN 14 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2ju8 n PHE 15 N -1.62 -2.66 -0.07 3.10 3.72 -1.26 -4.87 117.46 113.80 2ju8 n PHE 15 Ca 0.00 0.63 -0.07 0.00 -0.05 0.00 0.00 57.45 57.96 2ju8 n PHE 15 Cb 0.17 1.44 -0.01 0.00 -0.94 0.00 0.00 39.48 40.14 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 -0.37 -1.08 5.08 -1.98 -0.63 114.58 115.59 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 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ju8 h GLU 16 CO 0.00 -0.01 -0.16 -1.00 -1.00 0.00 0.00 179.01 176.84 2ju8 h PRO 17 N -0.01 0.76 0.15 2.33 0.13 -1.98 -0.83 132.00 132.54 2ju8 h PRO 17 Ca 0.14 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 2ju8 h PRO 17 Cb 0.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.32 2ju8 h PRO 17 CO -0.30 0.94 -0.07 0.35 -0.23 0.00 0.00 178.00 178.69 2ju8 h PHE 18 N 0.55 -0.18 -0.53 1.56 3.57 -1.87 -1.84 116.94 118.20 2ju8 h PHE 18 Ca 0.08 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2ju8 h PHE 18 Cb 0.70 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2ju8 h PHE 18 CO 0.06 0.06 0.19 0.52 -2.23 0.00 0.00 178.31 176.90 2ju8 h MET 19 N -0.41 0.82 -0.85 1.11 2.86 -1.17 -2.46 114.93 114.84 2ju8 h MET 19 Ca -0.02 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2ju8 h MET 19 Cb 0.32 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 2ju8 h MET 19 CO 0.03 0.74 0.55 0.87 1.06 0.00 0.00 176.91 180.17 2ju8 h LYS 20 N 0.73 1.07 0.00 1.72 1.57 -1.13 0.39 116.57 120.92 2ju8 h LYS 20 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2ju8 h LYS 20 Cb 0.25 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ju8 h LYS 20 CO -0.01 0.71 -0.07 0.00 -0.57 0.00 0.00 179.45 179.51 2ju8 h ALA 21 N 1.34 1.11 -1.52 3.86 0.00 -1.10 -3.33 119.26 119.61 2ju8 h ALA 21 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2ju8 h ALA 21 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ju8 h ALA 21 CO -0.10 0.09 0.00 -0.12 0.00 0.00 0.00 179.25 179.12 2ju8 n MET 22 N -3.33 0.00 0.00 0.00 0.00 -0.06 -5.05 117.12 108.69 2ju8 n MET 22 Ca -0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.70 57.82 2ju8 n MET 22 Cb 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 33.22 32.96 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 2.14 0.00 3.38 -5.12 0.00 0.12 -5.10 105.19 100.61 2ju8 n GLY 23 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.56 0.19 0.99 2.96 -0.92 -5.04 118.68 119.41 2ju8 s LEU 24 Ca 0.00 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 2ju8 s LEU 24 Cb 0.00 -1.53 -0.08 0.00 0.50 0.00 0.00 46.19 45.08 2ju8 s LEU 24 CO 0.00 0.25 1.15 -2.16 -1.32 0.00 0.00 176.35 174.27 2ju8 s PRO 25 N -0.16 4.54 0.45 0.98 0.04 -1.26 -4.32 135.00 135.28 2ju8 s PRO 25 Ca -0.01 1.81 0.21 0.00 0.04 0.00 0.00 61.00 63.05 2ju8 s PRO 25 Cb -0.14 -3.25 1.20 0.00 0.04 0.00 0.00 34.50 32.35 2ju8 s PRO 25 CO 0.03 -0.01 1.88 0.93 0.04 0.00 0.00 177.00 179.87 2ju8 h GLU 26 N 5.10 0.28 -0.22 4.56 5.08 -1.98 -1.44 114.58 125.96 2ju8 h GLU 26 Ca -0.45 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2ju8 h GLU 26 Cb 1.21 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2ju8 h GLU 26 CO 0.73 0.18 0.07 -0.44 -1.00 0.00 0.00 179.01 178.56 2ju8 h ASP 27 N 0.28 0.08 -0.11 1.42 3.32 -2.01 -1.11 116.42 118.29 2ju8 h ASP 27 Ca 0.44 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.36 2ju8 h ASP 27 Cb 1.27 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2ju8 h ASP 27 CO -0.12 0.08 -0.49 -0.07 -1.72 0.00 0.00 179.24 176.91 2ju8 h LEU 28 N 0.18 0.74 -0.31 1.55 4.07 -1.69 -3.18 115.31 116.67 2ju8 h LEU 28 Ca 0.10 -0.37 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 2ju8 h LEU 28 Cb 0.07 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2ju8 h LEU 28 CO -0.10 1.10 0.19 0.40 -1.08 0.00 0.00 178.44 178.95 2ju8 h ILE 29 N 0.53 1.10 -0.75 1.22 2.04 -1.00 -0.33 117.51 120.32 2ju8 h ILE 29 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2ju8 h ILE 29 Cb 1.04 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2ju8 h ILE 29 CO 0.10 0.10 0.48 1.56 0.00 0.00 0.00 178.15 180.39 2ju8 h GLN 30 N 0.41 1.00 -0.10 2.37 1.08 -1.26 -0.36 115.11 118.24 2ju8 h GLN 30 Ca 0.11 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 2ju8 h GLN 30 Cb -0.00 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 2ju8 h GLN 30 CO -0.02 0.68 -0.43 0.87 -0.95 0.00 0.00 178.83 178.98 2ju8 h LYS 31 N 1.02 0.23 -0.04 1.46 1.57 -1.48 -2.81 116.57 116.52 2ju8 h LYS 31 Ca 0.27 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2ju8 h LYS 31 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2ju8 h LYS 31 CO -0.06 0.63 -0.22 0.78 -0.57 0.00 0.00 179.45 180.01 2ju8 h GLY 32 N 1.25 0.25 1.87 3.86 0.00 -0.47 -3.24 103.07 106.59 2ju8 h GLY 32 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2ju8 h GLY 32 CO 0.07 0.31 -0.01 0.07 0.00 0.00 0.00 176.54 176.98 2ju8 h LYS 33 N -0.33 0.17 0.00 4.80 2.10 -1.12 -1.02 116.57 121.17 2ju8 h LYS 33 Ca -0.01 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2ju8 h LYS 33 Cb 0.88 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2ju8 h LYS 33 CO 0.05 0.20 -0.01 0.22 -2.00 0.00 0.00 179.45 177.90 2ju8 h ASP 34 N 0.17 0.00 -3.37 7.07 1.82 -1.52 -3.40 116.42 117.19 2ju8 h ASP 34 Ca 0.04 0.00 -0.65 0.00 -0.39 0.00 0.00 57.03 56.03 2ju8 h ASP 34 Cb 0.14 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 39.88 2ju8 h ASP 34 CO 0.00 0.01 -0.72 -0.63 -1.61 0.00 0.00 179.24 176.30 2ju8 s ILE 35 N -4.09 3.40 -0.11 2.25 1.01 -0.39 -5.06 121.20 118.21 2ju8 s ILE 35 Ca -0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 2ju8 s ILE 35 Cb 0.12 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 40.01 2ju8 s ILE 35 CO 0.47 0.45 2.11 0.29 0.00 0.00 0.00 174.94 178.27 2ju8 n LYS 36 N 4.35 2.35 -1.08 2.79 5.02 -1.26 -4.92 118.16 125.41 2ju8 n LYS 36 Ca -0.18 0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 56.53 2ju8 n LYS 36 Cb 0.51 -3.12 0.12 0.00 -0.02 0.00 0.00 35.03 32.52 2ju8 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju8 n GLY 37 N 5.23 -0.68 3.20 0.72 0.00 -1.25 -4.80 105.19 107.60 2ju8 n GLY 37 Ca 0.26 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.14 1.83 -0.02 1.61 1.01 -1.23 -1.92 120.40 119.54 2ju8 s VAL 38 Ca 0.69 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2ju8 s VAL 38 Cb -0.29 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2ju8 s VAL 38 CO 0.55 0.51 -0.04 -0.44 0.00 0.00 0.00 175.10 175.69 2ju8 s SER 39 N 0.13 0.63 -0.02 3.32 0.01 -0.97 -2.78 113.70 114.02 2ju8 s SER 39 Ca -0.10 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2ju8 s SER 39 Cb -0.15 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.88 2ju8 s SER 39 CO 0.05 -0.01 -0.05 -0.70 0.41 0.00 0.00 173.24 172.94 2ju8 s GLU 40 N 0.45 0.65 -0.17 12.44 2.12 -0.77 -1.86 118.70 131.56 2ju8 s GLU 40 Ca -0.05 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.13 2ju8 s GLU 40 Cb -0.08 -0.65 0.03 0.00 0.26 0.00 0.00 34.13 33.68 2ju8 s GLU 40 CO -0.00 0.03 -0.15 0.42 -0.54 0.00 0.00 175.26 175.01 2ju8 s ILE 41 N 0.38 1.73 -0.30 -3.70 1.01 -1.18 -1.59 121.20 117.54 2ju8 s ILE 41 Ca -0.05 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2ju8 s ILE 41 Cb -0.09 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.77 2ju8 s ILE 41 CO -0.00 0.43 0.09 -0.69 0.00 0.00 0.00 174.94 174.77 2ju8 s VAL 42 N 1.41 4.01 -0.23 2.92 1.01 -0.33 -2.61 120.40 126.59 2ju8 s VAL 42 Ca 0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2ju8 s VAL 42 Cb -0.13 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2ju8 s VAL 42 CO -0.11 0.05 -0.09 -2.28 0.00 0.00 0.00 175.10 172.67 2ju8 s HIS 43 N 1.50 3.00 -0.27 5.22 5.04 -1.26 -0.57 115.29 127.95 2ju8 s HIS 43 Ca 0.02 -1.53 -0.03 0.00 -1.54 0.00 0.00 55.06 51.98 2ju8 s HIS 43 Cb -0.17 -2.03 0.09 0.00 0.04 0.00 0.00 32.58 30.51 2ju8 s HIS 43 CO 0.03 -0.73 0.11 -1.21 -2.34 0.00 0.00 174.74 170.60 2ju8 s GLU 44 N 1.33 0.32 -0.83 2.88 2.02 -0.18 -4.79 118.70 119.45 2ju8 s GLU 44 Ca 0.01 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 2ju8 s GLU 44 Cb -0.16 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 2ju8 s GLU 44 CO -0.06 -0.94 0.72 0.41 0.02 0.00 0.00 175.26 175.41 2ju8 n GLY 45 N 5.15 -0.55 4.25 -1.39 0.00 -1.26 -2.63 105.19 108.76 2ju8 n GLY 45 Ca -0.05 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.96 0.00 -3.06 1.61 5.02 -1.26 -4.91 118.16 112.60 2ju8 n LYS 46 Ca -0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.76 2ju8 n LYS 46 Cb 0.60 -3.22 -0.06 0.00 -0.02 0.00 0.00 35.03 32.33 2ju8 n LYS 46 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ju8 s LYS 47 N -0.07 3.27 -0.04 1.97 2.20 -1.08 -3.18 119.74 122.81 2ju8 s LYS 47 Ca 0.00 -0.42 -0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2ju8 s LYS 47 Cb 0.00 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2ju8 s LYS 47 CO 0.00 -1.13 0.00 0.54 -0.36 0.00 0.00 175.35 174.40 2ju8 s VAL 48 N 3.01 4.23 -0.11 4.02 0.11 -0.66 -1.01 120.40 129.99 2ju8 s VAL 48 Ca 0.23 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 2ju8 s VAL 48 Cb -0.15 -2.83 0.02 0.00 -1.53 0.00 0.00 36.38 31.89 2ju8 s VAL 48 CO 0.18 0.49 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.78 2ju8 s LYS 49 N -1.21 1.97 -0.14 1.54 1.02 0.27 -0.37 119.74 122.81 2ju8 s LYS 49 Ca 0.16 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 2ju8 s LYS 49 Cb -0.11 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 2ju8 s LYS 49 CO 0.06 -0.13 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.12 2ju8 s LEU 50 N 1.19 3.01 -0.11 3.17 0.20 0.66 -1.19 118.68 125.61 2ju8 s LEU 50 Ca -0.03 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.60 2ju8 s LEU 50 Cb -0.14 -1.70 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 2ju8 s LEU 50 CO -0.04 0.18 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.11 2ju8 s THR 51 N 0.30 1.80 -0.09 3.68 2.01 -0.62 -0.41 115.64 122.31 2ju8 s THR 51 Ca -0.06 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.11 2ju8 s THR 51 Cb -0.15 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.78 2ju8 s THR 51 CO 0.04 0.50 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.71 2ju8 s ILE 52 N 0.74 1.27 -0.11 1.82 1.01 0.18 -1.85 121.20 124.26 2ju8 s ILE 52 Ca -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2ju8 s ILE 52 Cb -0.16 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 2ju8 s ILE 52 CO 0.01 0.39 -0.19 -0.89 0.00 0.00 0.00 174.94 174.27 2ju8 s THR 53 N 0.96 2.54 -0.26 2.92 2.01 -1.12 -0.42 115.64 122.28 2ju8 s THR 53 Ca -0.08 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2ju8 s THR 53 Cb -0.15 -2.02 0.06 0.00 0.01 0.00 0.00 72.50 70.41 2ju8 s THR 53 CO -0.00 0.55 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.08 2ju8 s TYR 54 N 0.24 3.18 0.00 4.92 2.02 -0.24 -3.50 117.35 123.96 2ju8 s TYR 54 Ca -0.12 -2.30 0.00 0.00 -0.37 0.00 0.00 57.07 54.27 2ju8 s TYR 54 Cb -0.16 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2ju8 s TYR 54 CO 0.07 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.59 2ju8 n GLY 55 N 4.45 0.97 0.40 0.71 0.00 -1.26 -1.52 105.19 108.94 2ju8 n GLY 55 Ca -0.12 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.41 2ju8 n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ju8 n SER 56 N 3.16 0.33 -4.27 1.61 7.64 -1.26 -5.05 113.62 115.77 2ju8 n SER 56 Ca 0.00 -2.07 -0.34 0.00 1.01 0.00 0.00 58.87 57.48 2ju8 n SER 56 Cb 0.00 -0.21 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 2ju8 n SER 56 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ju8 s LYS 57 N -0.38 3.26 -0.22 1.43 2.20 -0.58 -5.10 119.74 120.34 2ju8 s LYS 57 Ca 0.04 -0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 54.83 2ju8 s LYS 57 Cb 0.04 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 2ju8 s LYS 57 CO 0.00 -0.05 0.16 0.08 -0.36 0.00 0.00 175.35 175.19 2ju8 s VAL 58 N 1.01 5.37 -0.22 4.02 1.01 -1.26 -1.08 120.40 129.24 2ju8 s VAL 58 Ca -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2ju8 s VAL 58 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2ju8 s VAL 58 CO -0.02 0.37 -0.11 -0.63 0.00 0.00 0.00 175.10 174.72 2ju8 s ILE 59 N 0.83 2.69 -0.09 2.22 -1.09 0.44 -5.00 121.20 121.20 2ju8 s ILE 59 Ca 0.08 -0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 57.59 2ju8 s ILE 59 Cb -0.13 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 2ju8 s ILE 59 CO 0.03 0.36 0.01 -1.38 -1.23 0.00 0.00 174.94 172.73 2ju8 s HIS 60 N 1.34 3.20 0.06 3.97 -3.43 -1.26 -0.65 115.29 118.51 2ju8 s HIS 60 Ca 0.03 0.22 -0.10 0.00 -0.80 0.00 0.00 55.06 54.41 2ju8 s HIS 60 Cb -0.15 -1.80 0.01 0.00 -1.43 0.00 0.00 32.58 29.21 2ju8 s HIS 60 CO -0.07 0.49 0.22 -0.80 -2.00 0.00 0.00 174.74 172.58 2ju8 s ASN 61 N -0.90 0.02 -0.09 7.38 -0.87 0.45 -5.00 114.94 115.93 2ju8 s ASN 61 Ca 0.13 -0.42 -0.05 0.00 -1.57 0.00 0.00 52.86 50.95 2ju8 s ASN 61 Cb -0.11 0.32 0.04 0.00 -0.02 0.00 0.00 41.25 41.48 2ju8 s ASN 61 CO 0.02 -0.63 0.21 -0.70 -2.57 0.00 0.00 177.10 173.44 2ju8 s GLU 62 N -3.03 0.17 0.07 -0.60 2.12 -1.26 -0.25 118.70 115.93 2ju8 s GLU 62 Ca -0.02 0.48 0.03 0.00 0.36 0.00 0.00 54.97 55.82 2ju8 s GLU 62 Cb 0.01 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.24 2ju8 s GLU 62 CO -0.06 -0.16 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.34 2ju8 s PHE 63 N 1.20 0.91 -0.26 5.30 0.08 0.50 -4.94 117.98 120.77 2ju8 s PHE 63 Ca -0.09 -0.59 -0.04 0.00 0.12 0.00 0.00 56.93 56.33 2ju8 s PHE 63 Cb -0.10 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 2ju8 s PHE 63 CO -0.08 -0.04 0.00 0.99 -0.10 0.00 0.00 175.22 176.00 2ju8 s THR 64 N -1.93 3.43 0.46 0.64 2.01 -1.26 -1.65 115.64 117.33 2ju8 s THR 64 Ca -0.01 -0.77 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 2ju8 s THR 64 Cb -0.06 -2.72 -0.11 0.00 0.01 0.00 0.00 72.50 69.62 2ju8 s THR 64 CO 0.00 0.20 0.63 0.00 -0.69 0.00 0.00 174.62 174.76 2ju8 n LEU 65 N 4.78 0.71 -2.13 4.42 -0.00 -1.19 -1.39 117.00 122.19 2ju8 n LEU 65 Ca -0.16 0.89 -0.17 0.00 -0.00 0.00 0.00 56.01 56.57 2ju8 n LEU 65 Cb 0.48 -1.18 -0.03 0.00 -0.00 0.00 0.00 43.42 42.70 2ju8 n LEU 65 CO 0.29 -2.65 -0.20 0.61 -0.00 0.00 0.00 177.39 175.44 2ju8 n GLY 66 N 1.67 0.16 3.07 1.47 0.00 0.56 -4.95 105.19 107.16 2ju8 n GLY 66 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.54 0.40 -0.18 1.61 0.41 -0.49 -5.03 118.70 110.88 2ju8 s GLU 67 Ca 0.00 -0.32 -0.21 0.00 -0.41 0.00 0.00 54.97 54.03 2ju8 s GLU 67 Cb 0.00 0.17 -0.03 0.00 -1.78 0.00 0.00 34.13 32.49 2ju8 s GLU 67 CO 0.00 -0.09 0.66 -2.00 -0.49 0.00 0.00 175.26 173.34 2ju8 s GLU 68 N -1.13 4.25 0.19 1.61 2.12 -1.26 -3.47 118.70 121.00 2ju8 s GLU 68 Ca -0.12 0.68 0.08 0.00 0.36 0.00 0.00 54.97 55.97 2ju8 s GLU 68 Cb -0.07 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 2ju8 s GLU 68 CO 0.01 -0.21 -0.16 0.00 -0.54 0.00 0.00 175.26 174.36 2ju8 s GLU 70 N -3.23 4.20 0.02 0.00 2.12 -1.26 -1.51 118.70 119.04 2ju8 s GLU 70 Ca 0.19 0.12 0.08 0.00 0.36 0.00 0.00 54.97 55.72 2ju8 s GLU 70 Cb -0.03 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 2ju8 s GLU 70 CO 0.07 0.09 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.15 2ju8 s LEU 71 N 0.92 2.35 -0.13 2.70 2.01 -0.54 -4.97 118.68 121.02 2ju8 s LEU 71 Ca 0.17 -0.46 -0.24 0.00 0.01 0.00 0.00 54.13 53.61 2ju8 s LEU 71 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 46.19 44.63 2ju8 s LEU 71 CO 0.06 0.28 0.75 -0.70 1.01 0.00 0.00 176.35 177.75 2ju8 s GLU 72 N -1.09 4.35 0.91 1.70 2.12 -1.26 -2.48 118.70 122.95 2ju8 s GLU 72 Ca 0.12 0.90 -0.14 0.00 0.36 0.00 0.00 54.97 56.21 2ju8 s GLU 72 Cb -0.10 -3.52 0.17 0.00 0.26 0.00 0.00 34.13 30.93 2ju8 s GLU 72 CO 0.02 -0.15 1.27 0.95 -0.54 0.00 0.00 175.26 176.82 2ju8 s THR 73 N 1.53 2.01 0.24 -1.70 -4.23 -1.07 -4.97 115.64 107.46 2ju8 s THR 73 Ca 0.37 -0.02 0.21 0.00 -1.18 0.00 0.00 61.69 61.06 2ju8 s THR 73 Cb -0.17 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.86 2ju8 s THR 73 CO 0.15 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 176.06 2ju8 h MET 74 N -1.45 0.00 0.10 3.99 -0.00 -1.97 -3.19 114.93 112.41 2ju8 h MET 74 Ca -0.45 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.05 2ju8 h MET 74 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.86 2ju8 h MET 74 CO 0.45 0.29 -1.02 1.79 -0.00 0.00 0.00 176.91 178.43 2ju8 h THR 75 N 0.00 1.29 0.00 -0.10 1.35 -1.97 -3.48 112.91 110.00 2ju8 h THR 75 Ca -0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 2ju8 h THR 75 Cb 0.72 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 2ju8 h THR 75 CO 0.04 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 2ju8 n GLY 76 N 1.67 -0.55 3.76 5.82 0.00 -1.20 -5.13 105.19 109.55 2ju8 n GLY 76 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 4.73 -0.26 1.61 2.12 -1.26 -4.79 118.70 120.85 2ju8 s GLU 77 Ca 0.00 1.42 -0.21 0.00 0.36 0.00 0.00 54.97 56.54 2ju8 s GLU 77 Cb 0.00 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 2ju8 s GLU 77 CO 0.00 0.40 0.68 0.15 -0.54 0.00 0.00 175.26 175.95 2ju8 s LYS 78 N -1.59 4.09 0.13 4.30 -0.14 -1.26 -2.58 119.74 122.69 2ju8 s LYS 78 Ca 0.45 0.60 0.09 0.00 -1.36 0.00 0.00 55.97 55.76 2ju8 s LYS 78 Cb -0.23 -3.66 -0.04 0.00 -1.68 0.00 0.00 37.83 32.22 2ju8 s LYS 78 CO 0.28 -0.47 -0.18 0.14 -0.76 0.00 0.00 175.35 174.36 2ju8 s VAL 79 N 2.61 2.79 -0.18 3.17 -7.23 -1.03 -4.99 120.40 115.53 2ju8 s VAL 79 Ca 0.28 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 2ju8 s VAL 79 Cb -0.15 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2ju8 s VAL 79 CO 0.09 0.06 0.03 -0.54 -0.31 0.00 0.00 175.10 174.44 2ju8 s LYS 80 N -2.24 3.85 -0.07 4.82 1.02 -1.26 -1.47 119.74 124.40 2ju8 s LYS 80 Ca 0.18 -0.41 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 2ju8 s LYS 80 Cb -0.10 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2ju8 s LYS 80 CO 0.10 0.21 0.22 0.00 -0.92 0.00 0.00 175.35 174.97 2ju8 s ALA 81 N 0.50 -0.55 -0.20 5.17 0.00 -0.57 -4.04 121.76 122.08 2ju8 s ALA 81 Ca 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 2ju8 s ALA 81 Cb -0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 2ju8 s ALA 81 CO 0.01 -0.14 -0.10 0.54 0.00 0.00 0.00 175.76 176.08 2ju8 s VAL 82 N -0.23 2.94 -0.25 0.00 0.11 -1.18 -0.73 120.40 121.06 2ju8 s VAL 82 Ca -0.03 -0.65 -0.13 0.00 -2.93 0.00 0.00 61.98 58.24 2ju8 s VAL 82 Cb -0.03 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 2ju8 s VAL 82 CO 0.01 0.47 0.30 0.54 -3.33 0.00 0.00 175.10 173.08 2ju8 s VAL 83 N 1.32 5.24 -0.01 2.04 0.11 -1.23 -2.96 120.40 124.92 2ju8 s VAL 83 Ca 0.04 0.44 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 2ju8 s VAL 83 Cb -0.14 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.07 2ju8 s VAL 83 CO -0.05 0.23 -0.14 -0.75 -3.33 0.00 0.00 175.10 171.06 2ju8 s LYS 84 N 1.65 1.16 -0.11 1.54 2.20 -0.77 -0.33 119.74 125.08 2ju8 s LYS 84 Ca 0.13 -0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 55.14 2ju8 s LYS 84 Cb -0.15 -1.12 -0.04 0.00 -1.51 0.00 0.00 37.83 35.01 2ju8 s LYS 84 CO 0.09 0.31 0.15 0.00 -0.36 0.00 0.00 175.35 175.53 2ju8 s MET 85 N -0.37 3.45 0.00 4.03 0.23 -1.26 0.10 119.30 125.49 2ju8 s MET 85 Ca 0.05 -0.13 0.25 0.00 -1.03 0.00 0.00 55.69 54.83 2ju8 s MET 85 Cb -0.06 -3.19 0.43 0.00 -1.53 0.00 0.00 34.83 30.49 2ju8 s MET 85 CO -0.00 0.77 1.36 -1.91 -2.03 0.00 0.00 175.02 173.21 2ju8 n GLU 86 N 1.94 0.01 0.00 3.16 4.07 0.21 -4.81 120.64 125.21 2ju8 n GLU 86 Ca -0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 2ju8 n GLU 86 Cb 0.55 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.42 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 1.49 0.91 3.35 8.31 0.00 -1.04 -4.92 105.19 113.29 2ju8 n GLY 87 Ca 0.05 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 4.35 0.00 1.61 2.15 -1.26 -4.54 116.67 114.97 2ju8 s ASP 88 Ca 0.00 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.64 2ju8 s ASP 88 Cb 0.00 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.89 2ju8 s ASP 88 CO 0.00 0.03 0.00 -3.20 -0.17 0.00 0.00 175.17 171.83 2ju8 n ASN 89 N 4.46 0.00 -4.01 -0.34 5.15 -0.37 -4.90 115.26 115.25 2ju8 n ASN 89 Ca -0.18 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.57 2ju8 n ASN 89 Cb 0.51 -0.58 -0.16 0.00 -0.53 0.00 0.00 39.78 39.02 2ju8 n ASN 89 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2ju8 s LYS 90 N -0.15 1.45 -0.04 1.20 3.01 -1.26 -2.81 119.74 121.15 2ju8 s LYS 90 Ca 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 55.97 54.58 2ju8 s LYS 90 Cb 0.00 -1.24 0.03 0.00 -1.01 0.00 0.00 37.83 35.61 2ju8 s LYS 90 CO 0.00 0.04 0.09 1.41 0.51 0.00 0.00 175.35 177.40 2ju8 s MET 91 N 0.57 0.03 -0.20 1.68 1.75 -0.36 -0.62 119.30 122.13 2ju8 s MET 91 Ca -0.11 0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.59 2ju8 s MET 91 Cb -0.14 -0.21 0.02 0.00 2.84 0.00 0.00 34.83 37.34 2ju8 s MET 91 CO 0.03 -0.16 -0.14 0.08 -0.65 0.00 0.00 175.02 174.17 2ju8 s VAL 92 N 1.08 2.45 0.01 10.11 1.01 0.12 -2.42 120.40 132.75 2ju8 s VAL 92 Ca -0.09 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2ju8 s VAL 92 Cb -0.12 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2ju8 s VAL 92 CO -0.04 0.43 -0.08 0.28 0.00 0.00 0.00 175.10 175.69 2ju8 s THR 93 N 1.32 0.60 -0.08 3.92 -1.32 -1.10 -1.85 115.64 117.14 2ju8 s THR 93 Ca 0.04 -0.48 0.03 0.00 -1.21 0.00 0.00 61.69 60.06 2ju8 s THR 93 Cb -0.14 -0.54 0.01 0.00 -1.51 0.00 0.00 72.50 70.32 2ju8 s THR 93 CO -0.09 0.06 -0.15 0.42 -2.21 0.00 0.00 174.62 172.65 2ju8 s THR 94 N -0.41 1.36 -0.03 5.08 -4.23 -1.15 -2.18 115.64 114.08 2ju8 s THR 94 Ca 0.01 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2ju8 s THR 94 Cb -0.04 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.60 2ju8 s THR 94 CO -0.00 0.41 0.03 0.72 -0.54 0.00 0.00 174.62 175.24 2ju8 s PHE 95 N 0.64 0.14 -1.96 3.99 -0.71 -0.82 -3.09 117.98 116.16 2ju8 s PHE 95 Ca -0.15 0.12 0.00 0.00 -1.04 0.00 0.00 56.93 55.86 2ju8 s PHE 95 Cb -0.16 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.27 2ju8 s PHE 95 CO 0.04 -0.14 0.00 1.17 -1.34 0.00 0.00 175.22 174.95 2ju8 n LYS 96 N 4.54 -1.45 -0.20 1.99 4.81 -1.26 -0.44 118.16 126.14 2ju8 n LYS 96 Ca -0.20 1.09 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2ju8 n LYS 96 Cb 0.50 -5.47 0.00 0.00 0.02 0.00 0.00 35.03 30.08 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 -0.41 1.02 3.80 3.14 0.00 -1.26 -5.04 105.19 106.43 2ju8 n GLY 97 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.62 4.83 -0.25 -0.61 1.09 0.41 -5.06 121.20 119.00 2ju8 s ILE 98 Ca 0.00 1.17 -0.14 0.00 -1.10 0.00 0.00 60.65 60.59 2ju8 s ILE 98 Cb 0.00 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 2ju8 s ILE 98 CO 0.00 0.51 0.31 -0.75 -0.10 0.00 0.00 174.94 174.91 2ju8 s LYS 99 N -0.80 4.06 -0.17 2.79 2.20 -1.26 -1.95 119.74 124.62 2ju8 s LYS 99 Ca 0.29 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.88 2ju8 s LYS 99 Cb -0.19 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 2ju8 s LYS 99 CO 0.18 -0.12 -0.18 -1.54 -0.36 0.00 0.00 175.35 173.32 2ju8 s SER 100 N 1.36 2.97 -0.20 1.43 1.04 -0.92 -2.96 113.70 116.42 2ju8 s SER 100 Ca 0.13 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 2ju8 s SER 100 Cb -0.15 -1.37 -0.01 0.00 0.10 0.00 0.00 66.02 64.59 2ju8 s SER 100 CO 0.08 -0.02 -0.07 -0.69 0.98 0.00 0.00 173.24 173.52 2ju8 s VAL 101 N 1.35 3.24 -0.13 5.02 1.01 -0.32 -2.70 120.40 127.87 2ju8 s VAL 101 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2ju8 s VAL 101 Cb -0.13 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2ju8 s VAL 101 CO -0.12 0.46 -0.14 -0.89 0.00 0.00 0.00 175.10 174.41 2ju8 s THR 102 N 1.19 2.98 -0.18 3.92 2.01 -1.02 -0.53 115.64 124.01 2ju8 s THR 102 Ca 0.02 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 2ju8 s THR 102 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2ju8 s THR 102 CO -0.02 0.53 0.31 -1.61 -0.69 0.00 0.00 174.62 173.14 2ju8 s GLU 103 N 0.35 4.21 -0.27 4.92 8.01 -0.02 -1.23 118.70 134.67 2ju8 s GLU 103 Ca -0.12 0.08 -0.05 0.00 0.01 0.00 0.00 54.97 54.90 2ju8 s GLU 103 Cb -0.16 -3.48 0.01 0.00 -4.31 0.00 0.00 34.13 26.19 2ju8 s GLU 103 CO 0.06 0.12 0.02 0.12 0.01 0.00 0.00 175.26 175.60 2ju8 s PHE 104 N 0.82 3.10 0.15 1.61 2.19 -1.12 -2.62 117.98 122.10 2ju8 s PHE 104 Ca 0.16 -1.13 0.08 0.00 0.33 0.00 0.00 56.93 56.37 2ju8 s PHE 104 Cb -0.14 -2.18 -0.04 0.00 -1.31 0.00 0.00 43.02 39.36 2ju8 s PHE 104 CO 0.05 -0.61 -0.17 -0.80 1.83 0.00 0.00 175.22 175.52 2ju8 s ASN 105 N 1.45 2.47 0.00 6.13 0.02 -0.28 -1.24 114.94 123.48 2ju8 s ASN 105 Ca 0.02 -0.83 0.00 0.00 -1.02 0.00 0.00 52.86 51.04 2ju8 s ASN 105 Cb -0.17 -0.13 0.00 0.00 0.02 0.00 0.00 41.25 40.97 2ju8 s ASN 105 CO -0.00 -0.06 0.36 0.61 0.02 0.00 0.00 177.10 178.03 2ju8 n GLY 106 N 0.46 0.86 0.00 0.66 0.00 -1.26 -3.12 105.19 102.78 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 0.48 0.00 -3.92 1.61 5.68 -1.26 -5.05 116.55 114.08 2ju8 n ASP 107 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 2ju8 n ASP 107 Cb 0.18 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.04 2ju8 n ASP 107 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2ju8 s THR 108 N -0.11 0.06 -0.05 2.12 -1.32 -1.18 -1.29 115.64 113.87 2ju8 s THR 108 Ca 0.00 -0.53 -0.01 0.00 -1.21 0.00 0.00 61.69 59.95 2ju8 s THR 108 Cb 0.00 -0.20 0.03 0.00 -1.51 0.00 0.00 72.50 70.81 2ju8 s THR 108 CO 0.00 -0.29 0.00 -0.63 -2.21 0.00 0.00 174.62 171.49 2ju8 s ILE 109 N -0.87 0.30 -0.05 5.08 1.01 -1.14 -1.13 121.20 124.40 2ju8 s ILE 109 Ca -0.10 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2ju8 s ILE 109 Cb -0.06 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 2ju8 s ILE 109 CO -0.00 0.22 -0.16 -0.89 0.00 0.00 0.00 174.94 174.10 2ju8 s THR 110 N 1.65 2.87 -0.10 2.92 2.01 -1.08 -3.31 115.64 120.60 2ju8 s THR 110 Ca -0.00 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2ju8 s THR 110 Cb -0.13 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2ju8 s THR 110 CO -0.03 0.59 -0.16 0.21 -0.69 0.00 0.00 174.62 174.53 2ju8 s ASN 111 N -0.67 3.80 -0.19 3.53 3.84 -1.12 -0.84 114.94 123.29 2ju8 s ASN 111 Ca 0.10 -0.35 0.01 0.00 0.21 0.00 0.00 52.86 52.84 2ju8 s ASN 111 Cb -0.11 -1.33 0.02 0.00 -0.55 0.00 0.00 41.25 39.29 2ju8 s ASN 111 CO 0.00 0.21 -0.19 -0.89 -2.79 0.00 0.00 177.10 173.45 2ju8 s THR 112 N 0.05 2.07 -0.15 -5.21 2.01 0.31 -1.71 115.64 113.01 2ju8 s THR 112 Ca -0.06 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 60.94 2ju8 s THR 112 Cb -0.15 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.48 2ju8 s THR 112 CO 0.05 0.48 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.25 2ju8 s MET 113 N 1.27 2.50 -0.18 4.92 -1.94 -0.38 -1.18 119.30 124.31 2ju8 s MET 113 Ca 0.04 -0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2ju8 s MET 113 Cb -0.14 -2.19 -0.00 0.00 2.01 0.00 0.00 34.83 34.51 2ju8 s MET 113 CO -0.12 -0.17 -0.11 0.99 -0.01 0.00 0.00 175.02 175.60 2ju8 s THR 114 N 1.27 2.96 -0.16 2.05 2.01 -1.15 -1.71 115.64 120.90 2ju8 s THR 114 Ca 0.01 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 2ju8 s THR 114 Cb -0.14 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.12 2ju8 s THR 114 CO -0.08 0.48 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.06 2ju8 s LEU 115 N 1.11 1.50 0.00 4.42 1.98 -1.13 -4.20 118.68 122.36 2ju8 s LEU 115 Ca 0.01 -0.61 0.00 0.00 -2.89 0.00 0.00 54.13 50.63 2ju8 s LEU 115 Cb -0.14 -0.86 0.00 0.00 0.66 0.00 0.00 46.19 45.84 2ju8 s LEU 115 CO -0.03 -0.19 0.00 0.61 -1.89 0.00 0.00 176.35 174.85 2ju8 n GLY 116 N 4.90 0.93 0.56 7.98 0.00 -1.26 -1.44 105.19 116.87 2ju8 n GLY 116 Ca -0.11 0.50 -0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 3.20 0.01 -4.67 1.61 8.00 -1.26 -5.10 116.55 118.34 2ju8 n ASP 117 Ca 0.00 -1.60 -0.35 0.00 0.71 0.00 0.00 54.79 53.55 2ju8 n ASP 117 Cb 0.00 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 2ju8 n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ju8 s ILE 118 N 0.00 4.37 -0.22 0.53 1.01 -0.52 -5.10 121.20 121.27 2ju8 s ILE 118 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2ju8 s ILE 118 Cb 0.02 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2ju8 s ILE 118 CO -0.01 0.58 0.06 -0.69 0.00 0.00 0.00 174.94 174.88 2ju8 s VAL 119 N -0.61 4.45 -0.20 2.92 1.01 -1.26 -2.83 120.40 123.88 2ju8 s VAL 119 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2ju8 s VAL 119 Cb -0.12 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.23 2ju8 s VAL 119 CO 0.02 0.38 -0.16 -0.47 0.00 0.00 0.00 175.10 174.88 2ju8 s TYR 120 N 1.16 2.87 -0.10 5.22 6.14 -0.69 -4.77 117.35 127.18 2ju8 s TYR 120 Ca 0.04 -1.58 0.01 0.00 0.64 0.00 0.00 57.07 56.18 2ju8 s TYR 120 Cb -0.14 -1.96 0.02 0.00 0.42 0.00 0.00 41.96 40.29 2ju8 s TYR 120 CO 0.03 -0.77 -0.10 0.21 0.64 0.00 0.00 175.55 175.56 2ju8 s LYS 121 N 1.31 1.69 -0.21 4.97 2.20 -1.26 -1.25 119.74 127.20 2ju8 s LYS 121 Ca 0.04 -0.35 -0.07 0.00 -0.36 0.00 0.00 55.97 55.23 2ju8 s LYS 121 Cb -0.14 -1.60 -0.03 0.00 -1.51 0.00 0.00 37.83 34.55 2ju8 s LYS 121 CO -0.10 -0.16 0.05 0.50 -0.36 0.00 0.00 175.35 175.28 2ju8 s ARG 122 N 1.32 3.80 -0.28 4.03 3.00 -0.69 -3.85 118.95 126.28 2ju8 s ARG 122 Ca -0.02 -0.42 -0.09 0.00 -1.00 0.00 0.00 55.73 54.20 2ju8 s ARG 122 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 34.95 31.57 2ju8 s ARG 122 CO -0.04 0.08 0.13 0.08 0.00 0.00 0.00 175.30 175.54 2ju8 s VAL 123 N 0.87 4.66 -0.01 7.11 1.01 -1.19 -2.80 120.40 130.05 2ju8 s VAL 123 Ca 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2ju8 s VAL 123 Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2ju8 s VAL 123 CO 0.02 0.24 -0.07 -0.94 0.00 0.00 0.00 175.10 174.35 2ju8 s SER 124 N 1.65 0.87 0.11 3.32 1.04 -1.21 -1.05 113.70 118.44 2ju8 s SER 124 Ca 0.06 -0.13 0.10 0.00 0.48 0.00 0.00 55.95 56.46 2ju8 s SER 124 Cb -0.16 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 2ju8 s SER 124 CO 0.06 0.09 -0.25 -1.59 0.98 0.00 0.00 173.24 172.53 2ju8 s LYS 125 N -0.16 1.53 -0.12 4.02 0.00 -1.09 -2.88 119.74 121.04 2ju8 s LYS 125 Ca 0.03 -1.28 -0.29 0.00 0.00 0.00 0.00 55.97 54.42 2ju8 s LYS 125 Cb -0.03 -1.95 -0.03 0.00 0.00 0.00 0.00 37.83 35.82 2ju8 s LYS 125 CO -0.00 0.47 1.40 0.50 0.00 0.00 0.00 175.35 177.71 2ju8 s ARG 126 N -1.93 4.22 0.00 1.78 3.52 -0.41 -1.96 118.95 124.16 2ju8 s ARG 126 Ca 0.14 1.85 0.21 0.00 -0.13 0.00 0.00 55.73 57.80 2ju8 s ARG 126 Cb -0.10 -3.82 0.16 0.00 -1.56 0.00 0.00 34.95 29.63 2ju8 s ARG 126 CO 0.06 -0.74 1.15 0.44 -0.81 0.00 0.00 175.30 175.40