#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 6.15 -0.30 6.12 2.20 -1.26 -4.96 114.94 122.89 2ju8 s ASN 2 Ca 0.00 -0.29 -0.17 0.00 -0.94 0.00 0.00 52.86 51.46 2ju8 s ASN 2 Cb 0.00 -2.18 0.19 0.00 -2.00 0.00 0.00 41.25 37.26 2ju8 s ASN 2 CO 0.00 -0.32 1.19 0.72 -2.94 0.00 0.00 177.10 175.76 2ju8 s PHE 3 N 1.94 -0.22 0.29 1.54 -0.71 -1.26 -4.98 117.98 114.57 2ju8 s PHE 3 Ca 0.10 0.41 0.00 0.00 -1.04 0.00 0.00 56.93 56.40 2ju8 s PHE 3 Cb -0.17 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.77 2ju8 s PHE 3 CO 0.11 -0.11 0.00 0.45 -1.34 0.00 0.00 175.22 174.33 2ju8 n SER 4 N 3.85 -4.53 0.00 1.98 2.88 -1.26 -4.81 113.62 111.73 2ju8 n SER 4 Ca -0.13 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2ju8 n SER 4 Cb 0.56 -2.05 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 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 -1.64 2.89 3.76 0.46 0.00 -0.81 -4.97 105.19 104.88 2ju8 n GLY 5 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.13 4.05 0.05 1.61 2.36 -1.26 -2.82 119.74 121.60 2ju8 s LYS 6 Ca 0.00 -0.19 0.03 0.00 -2.55 0.00 0.00 55.97 53.26 2ju8 s LYS 6 Cb 0.00 -3.38 -0.03 0.00 -1.05 0.00 0.00 37.83 33.38 2ju8 s LYS 6 CO 0.00 0.39 -0.09 0.71 1.55 0.00 0.00 175.35 177.90 2ju8 s TYR 7 N 0.10 0.81 -0.23 4.03 2.02 -0.06 -2.34 117.35 121.69 2ju8 s TYR 7 Ca 0.10 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2ju8 s TYR 7 Cb -0.11 -0.48 0.04 0.00 -0.40 0.00 0.00 41.96 41.01 2ju8 s TYR 7 CO -0.01 -0.05 -0.12 -1.14 -1.57 0.00 0.00 175.55 172.66 2ju8 s GLN 8 N -1.65 2.64 -0.16 -0.62 2.00 -0.06 -1.48 119.66 120.34 2ju8 s GLN 8 Ca -0.08 -1.08 -0.29 0.00 -2.00 0.00 0.00 55.36 51.91 2ju8 s GLN 8 Cb -0.10 -2.82 -0.03 0.00 0.80 0.00 0.00 33.01 30.86 2ju8 s GLN 8 CO 0.01 -0.41 1.58 0.08 -0.50 0.00 0.00 175.29 176.05 2ju8 s VAL 9 N 1.23 3.74 -0.10 1.34 1.01 -0.67 -2.29 120.40 124.66 2ju8 s VAL 9 Ca -0.02 0.87 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 2ju8 s VAL 9 Cb -0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2ju8 s VAL 9 CO -0.07 -0.19 -0.11 1.56 0.00 0.00 0.00 175.10 176.28 2ju8 h GLN 10 N 9.96 0.00 -3.98 2.72 4.20 -1.42 -3.10 115.11 123.48 2ju8 h GLN 10 Ca -0.34 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.24 2ju8 h GLN 10 Cb 1.15 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.82 2ju8 h GLN 10 CO 0.98 0.00 -0.32 0.45 -0.67 0.00 0.00 178.83 179.27 2ju8 s SER 11 N -5.03 0.02 -0.08 1.46 0.15 -1.26 -4.71 113.70 104.25 2ju8 s SER 11 Ca -0.09 -1.02 -0.05 0.00 0.70 0.00 0.00 55.95 55.48 2ju8 s SER 11 Cb 0.01 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2ju8 s SER 11 CO 0.14 -0.97 0.20 -1.58 1.20 0.00 0.00 173.24 172.23 2ju8 s GLN 12 N -4.03 0.19 0.11 5.44 -0.44 -1.26 -3.36 119.66 116.30 2ju8 s GLN 12 Ca 0.25 0.37 0.04 0.00 -2.50 0.00 0.00 55.36 53.52 2ju8 s GLN 12 Cb 0.03 -0.03 -0.04 0.00 -1.64 0.00 0.00 33.01 31.33 2ju8 s GLN 12 CO 0.06 -0.10 0.08 -1.83 0.50 0.00 0.00 175.29 174.01 2ju8 s GLU 13 N 0.71 2.84 0.00 1.67 -1.05 -1.25 -4.55 118.70 117.06 2ju8 s GLU 13 Ca -0.05 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 2ju8 s GLU 13 Cb -0.07 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.95 2ju8 s GLU 13 CO -0.04 0.54 0.00 0.27 0.95 0.00 0.00 175.26 176.98 2ju8 n ASN 14 N 0.21 -1.16 -0.01 0.83 6.94 -1.26 -4.08 115.26 116.72 2ju8 n ASN 14 Ca -0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.35 2ju8 n ASN 14 Cb 0.53 -0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.68 2ju8 n ASN 14 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 2ju8 h PHE 15 N 0.00 0.09 -0.21 -2.53 0.04 -1.93 -0.78 116.94 111.62 2ju8 h PHE 15 Ca 0.00 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.81 2ju8 h PHE 15 Cb 0.00 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 2ju8 h PHE 15 CO 0.00 0.29 -0.10 0.93 -0.60 0.00 0.00 178.31 178.83 2ju8 h GLU 16 N -0.13 -0.07 -0.25 1.51 5.08 -1.96 0.77 114.58 119.53 2ju8 h GLU 16 Ca 0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 2ju8 h GLU 16 Cb 0.25 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ju8 h GLU 16 CO 0.00 -0.05 -0.58 -1.00 -1.00 0.00 0.00 179.01 176.39 2ju8 h PRO 17 N -0.07 0.83 -0.66 2.33 0.13 -1.99 -3.08 132.00 129.49 2ju8 h PRO 17 Ca 0.11 -0.56 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2ju8 h PRO 17 Cb 0.24 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.42 2ju8 h PRO 17 CO -0.26 1.19 0.18 0.35 -0.23 0.00 0.00 178.00 179.23 2ju8 h PHE 18 N 0.59 1.08 -0.61 1.56 3.57 -0.98 -1.98 116.94 120.17 2ju8 h PHE 18 Ca -0.00 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 2ju8 h PHE 18 Cb 1.19 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 2ju8 h PHE 18 CO 0.08 0.89 0.17 0.00 -2.23 0.00 0.00 178.31 177.22 2ju8 h MET 19 N 0.97 0.94 -0.21 1.11 -0.00 -0.90 0.27 114.93 117.10 2ju8 h MET 19 Ca 0.21 -0.19 -0.11 0.00 -0.00 0.00 0.00 59.70 59.61 2ju8 h MET 19 Cb 0.34 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 31.79 2ju8 h MET 19 CO -0.00 0.82 -0.28 0.87 -0.00 0.00 0.00 176.91 178.32 2ju8 h LYS 20 N 0.90 0.56 0.01 -0.10 1.57 -1.42 0.28 116.57 118.38 2ju8 h LYS 20 Ca 0.20 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2ju8 h LYS 20 Cb 0.29 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2ju8 h LYS 20 CO -0.00 0.92 -0.00 0.00 -0.57 0.00 0.00 179.45 179.79 2ju8 h ALA 21 N 0.63 -0.41 -0.56 3.86 0.00 -1.17 -3.36 119.26 118.25 2ju8 h ALA 21 Ca 0.02 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2ju8 h ALA 21 Cb 0.86 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2ju8 h ALA 21 CO 0.07 -0.41 0.08 1.98 0.00 0.00 0.00 179.25 180.97 2ju8 h MET 22 N -0.02 0.20 0.00 0.00 1.85 -0.64 -3.46 114.93 112.86 2ju8 h MET 22 Ca -0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2ju8 h MET 22 Cb 0.01 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 31.99 2ju8 h MET 22 CO 0.00 0.13 0.00 0.41 -0.40 0.00 0.00 176.91 177.05 2ju8 n GLY 23 N -1.31 0.03 3.77 1.39 0.00 -0.61 -5.06 105.19 103.40 2ju8 n GLY 23 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 4.26 -0.07 0.99 2.96 0.90 -4.94 118.68 122.79 2ju8 s LEU 24 Ca 0.00 2.12 -0.13 0.00 -0.22 0.00 0.00 54.13 55.90 2ju8 s LEU 24 Cb 0.00 -4.01 -0.05 0.00 0.50 0.00 0.00 46.19 42.63 2ju8 s LEU 24 CO 0.00 -0.40 0.33 -2.16 -1.32 0.00 0.00 176.35 172.80 2ju8 s PRO 25 N -2.17 3.94 0.52 0.98 0.05 -1.26 -3.90 135.00 133.16 2ju8 s PRO 25 Ca 0.54 0.22 0.29 0.00 0.05 0.00 0.00 61.00 62.10 2ju8 s PRO 25 Cb -0.25 -3.28 1.42 0.00 0.05 0.00 0.00 34.50 32.44 2ju8 s PRO 25 CO 0.32 0.56 1.90 0.93 0.05 0.00 0.00 177.00 180.75 2ju8 h GLU 26 N 5.40 0.05 -0.72 4.56 5.08 -1.94 0.15 114.58 127.16 2ju8 h GLU 26 Ca -0.49 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 57.97 2ju8 h GLU 26 Cb 1.20 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 2ju8 h GLU 26 CO 0.65 0.03 0.36 0.22 -1.00 0.00 0.00 179.01 179.28 2ju8 h ASP 27 N 0.05 0.46 0.02 1.42 3.58 -2.00 0.22 116.42 120.18 2ju8 h ASP 27 Ca 0.41 0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.80 2ju8 h ASP 27 Cb 1.57 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.59 2ju8 h ASP 27 CO -0.03 0.26 -0.43 -0.07 -2.88 0.00 0.00 179.24 176.09 2ju8 h LEU 28 N 0.60 0.53 -0.20 2.28 4.07 -1.12 -3.01 115.31 118.46 2ju8 h LEU 28 Ca 0.36 -0.24 0.02 0.00 0.08 0.00 0.00 57.88 58.10 2ju8 h LEU 28 Cb 0.40 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2ju8 h LEU 28 CO -0.28 0.89 0.07 0.40 -1.08 0.00 0.00 178.44 178.44 2ju8 h ILE 29 N 0.41 0.95 -0.70 1.22 2.04 -0.15 0.16 117.51 121.44 2ju8 h ILE 29 Ca 0.03 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2ju8 h ILE 29 Cb 0.92 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2ju8 h ILE 29 CO 0.08 0.03 0.28 1.56 0.00 0.00 0.00 178.15 180.09 2ju8 h GLN 30 N 0.16 1.04 -0.06 2.37 7.50 -1.04 0.20 115.11 125.28 2ju8 h GLN 30 Ca 0.09 -0.19 -0.11 0.00 0.50 0.00 0.00 58.65 58.94 2ju8 h GLN 30 Cb 0.06 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 2ju8 h GLN 30 CO -0.09 0.87 -0.46 0.87 -1.50 0.00 0.00 178.83 178.52 2ju8 h LYS 31 N 1.00 0.15 0.16 1.46 1.57 -1.35 -3.21 116.57 116.34 2ju8 h LYS 31 Ca 0.23 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.64 2ju8 h LYS 31 Cb 0.21 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.54 2ju8 h LYS 31 CO -0.02 0.58 -1.30 0.78 -0.57 0.00 0.00 179.45 178.92 2ju8 h GLY 32 N 1.33 0.49 2.00 3.86 0.00 -0.25 -2.87 103.07 107.62 2ju8 h GLY 32 Ca 0.01 -1.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.16 2ju8 h GLY 32 CO 0.07 1.02 -0.07 0.07 0.00 0.00 0.00 176.54 177.63 2ju8 h LYS 33 N 0.14 0.00 0.00 4.80 2.10 -0.98 -1.73 116.57 120.90 2ju8 h LYS 33 Ca -0.18 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.32 2ju8 h LYS 33 Cb 2.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.30 2ju8 h LYS 33 CO 0.23 0.07 -1.35 -0.44 -2.00 0.00 0.00 179.45 175.95 2ju8 h ASP 34 N 0.00 0.00 -3.71 7.07 3.32 -1.60 -3.45 116.42 118.05 2ju8 h ASP 34 Ca -0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 2ju8 h ASP 34 Cb 0.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.52 2ju8 h ASP 34 CO 0.01 0.52 -0.53 -0.63 -1.72 0.00 0.00 179.24 176.89 2ju8 s ILE 35 N -2.97 4.91 -0.54 0.35 -1.09 -0.65 -5.05 121.20 116.16 2ju8 s ILE 35 Ca -0.03 -0.24 -0.28 0.00 -2.23 0.00 0.00 60.65 57.88 2ju8 s ILE 35 Cb 0.09 -3.46 0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2ju8 s ILE 35 CO 0.81 0.10 1.16 -0.54 -1.23 0.00 0.00 174.94 175.24 2ju8 s LYS 36 N 1.67 3.58 1.05 2.79 1.02 -1.26 -4.77 119.74 123.81 2ju8 s LYS 36 Ca 0.06 0.34 -0.13 0.00 0.02 0.00 0.00 55.97 56.25 2ju8 s LYS 36 Cb -0.17 -3.98 0.17 0.00 -0.52 0.00 0.00 37.83 33.33 2ju8 s LYS 36 CO 0.08 -1.57 0.80 0.41 -0.92 0.00 0.00 175.35 174.14 2ju8 n GLY 37 N 4.99 -1.56 3.26 -3.33 0.00 -1.17 -4.78 105.19 102.60 2ju8 n GLY 37 Ca 0.09 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.45 1.85 -0.11 1.61 1.01 -0.36 -1.67 120.40 120.28 2ju8 s VAL 38 Ca 0.64 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2ju8 s VAL 38 Cb -0.22 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.64 2ju8 s VAL 38 CO 0.63 0.52 -0.12 -0.44 0.00 0.00 0.00 175.10 175.70 2ju8 s SER 39 N -0.44 2.28 -0.06 3.32 0.01 -0.55 -1.72 113.70 116.53 2ju8 s SER 39 Ca 0.06 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 2ju8 s SER 39 Cb -0.10 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.18 2ju8 s SER 39 CO 0.00 -0.04 -0.03 -1.61 0.41 0.00 0.00 173.24 171.97 2ju8 s GLU 40 N 1.26 0.83 -0.09 12.44 2.02 -0.98 -0.88 118.70 133.30 2ju8 s GLU 40 Ca -0.02 -0.04 0.02 0.00 0.02 0.00 0.00 54.97 54.95 2ju8 s GLU 40 Cb -0.14 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.12 2ju8 s GLU 40 CO -0.05 -0.19 -0.15 0.42 0.02 0.00 0.00 175.26 175.31 2ju8 s ILE 41 N 1.42 1.44 -0.30 -1.63 1.01 -1.13 -1.90 121.20 120.11 2ju8 s ILE 41 Ca -0.03 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 2ju8 s ILE 41 Cb -0.13 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2ju8 s ILE 41 CO -0.03 0.43 0.11 -0.69 0.00 0.00 0.00 174.94 174.75 2ju8 s VAL 42 N 0.80 4.18 -0.29 2.92 1.01 -0.36 -1.93 120.40 126.73 2ju8 s VAL 42 Ca -0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2ju8 s VAL 42 Cb -0.16 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2ju8 s VAL 42 CO 0.02 0.06 0.12 -2.28 0.00 0.00 0.00 175.10 173.01 2ju8 s HIS 43 N 1.53 3.15 -0.28 5.22 2.46 -1.26 -1.62 115.29 124.49 2ju8 s HIS 43 Ca 0.03 -0.59 -0.03 0.00 0.47 0.00 0.00 55.06 54.94 2ju8 s HIS 43 Cb -0.17 -2.30 0.09 0.00 -0.13 0.00 0.00 32.58 30.07 2ju8 s HIS 43 CO 0.04 -0.44 0.11 -2.00 -2.47 0.00 0.00 174.74 169.98 2ju8 s GLU 44 N 1.60 0.33 4.00 2.88 2.56 -0.96 -4.89 118.70 124.22 2ju8 s GLU 44 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.41 2ju8 s GLU 44 Cb -0.16 -1.49 0.00 0.00 2.00 0.00 0.00 34.13 34.47 2ju8 s GLU 44 CO 0.05 -0.95 0.00 0.41 -0.56 0.00 0.00 175.26 174.21 2ju8 n GLY 45 N 5.14 0.89 0.00 -1.50 0.00 -1.26 -1.67 105.19 106.79 2ju8 n GLY 45 Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2ju8 n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ju8 n LYS 46 N 0.00 4.75 -3.22 1.61 2.85 -1.26 -4.98 118.16 117.91 2ju8 n LYS 46 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 2ju8 n LYS 46 Cb 0.00 -0.64 -0.08 0.00 -0.65 0.00 0.00 35.03 33.67 2ju8 n LYS 46 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2ju8 s LYS 47 N -1.26 3.58 -0.14 -1.58 2.20 -0.67 -2.00 119.74 119.86 2ju8 s LYS 47 Ca 0.00 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 2ju8 s LYS 47 Cb 0.00 -3.83 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2ju8 s LYS 47 CO 0.00 -0.69 -0.21 0.08 -0.36 0.00 0.00 175.35 174.17 2ju8 s VAL 48 N 2.44 1.98 -0.19 4.02 1.01 -0.93 -2.26 120.40 126.47 2ju8 s VAL 48 Ca 0.19 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 2ju8 s VAL 48 Cb -0.15 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2ju8 s VAL 48 CO 0.14 0.53 0.10 -0.54 0.00 0.00 0.00 175.10 175.33 2ju8 s LYS 49 N 0.90 4.10 -0.16 2.72 -0.14 -0.64 -2.87 119.74 123.65 2ju8 s LYS 49 Ca -0.05 -0.27 0.01 0.00 -1.36 0.00 0.00 55.97 54.30 2ju8 s LYS 49 Cb -0.15 -3.33 0.02 0.00 -1.68 0.00 0.00 37.83 32.68 2ju8 s LYS 49 CO -0.03 0.29 -0.20 -1.17 -0.76 0.00 0.00 175.35 173.49 2ju8 s LEU 50 N 0.35 2.05 -0.09 3.17 0.20 -1.11 -1.22 118.68 122.02 2ju8 s LEU 50 Ca 0.06 -0.61 0.02 0.00 0.69 0.00 0.00 54.13 54.29 2ju8 s LEU 50 Cb -0.12 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.25 2ju8 s LEU 50 CO -0.01 0.01 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.05 2ju8 s THR 51 N 1.18 1.25 -0.21 3.68 2.01 -0.80 -0.94 115.64 121.81 2ju8 s THR 51 Ca 0.01 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 2ju8 s THR 51 Cb -0.14 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 2ju8 s THR 51 CO -0.09 0.39 0.00 -0.63 -0.69 0.00 0.00 174.62 173.60 2ju8 s ILE 52 N 0.95 3.91 -0.18 1.82 -1.09 0.48 -2.33 121.20 124.77 2ju8 s ILE 52 Ca -0.09 -0.32 -0.07 0.00 -2.23 0.00 0.00 60.65 57.94 2ju8 s ILE 52 Cb -0.15 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2ju8 s ILE 52 CO -0.00 0.41 0.06 -0.89 -1.23 0.00 0.00 174.94 173.30 2ju8 s THR 53 N 1.17 4.81 0.22 2.92 2.01 -0.70 -0.70 115.64 125.38 2ju8 s THR 53 Ca 0.03 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.11 2ju8 s THR 53 Cb -0.14 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 2ju8 s THR 53 CO 0.01 0.47 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.73 2ju8 s TYR 54 N 0.28 2.22 -0.77 4.92 5.04 -0.95 -1.22 117.35 126.88 2ju8 s TYR 54 Ca 0.04 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 2ju8 s TYR 54 Cb -0.12 -1.05 0.00 0.00 0.35 0.00 0.00 41.96 41.14 2ju8 s TYR 54 CO 0.00 0.56 0.26 0.41 -1.34 0.00 0.00 175.55 175.44 2ju8 n GLY 55 N -0.08 0.69 1.08 8.97 0.00 -1.26 -3.50 105.19 111.09 2ju8 n GLY 55 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2ju8 n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ju8 n SER 56 N 0.40 0.00 -4.02 1.61 2.88 -1.26 -5.13 113.62 108.10 2ju8 n SER 56 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2ju8 n SER 56 Cb 0.13 0.24 -0.16 0.00 -0.75 0.00 0.00 64.21 63.67 2ju8 n SER 56 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2ju8 s LYS 57 N -1.54 1.35 -0.12 -1.46 2.20 -1.23 -5.14 119.74 113.79 2ju8 s LYS 57 Ca 0.00 -0.38 -0.07 0.00 -0.36 0.00 0.00 55.97 55.16 2ju8 s LYS 57 Cb 0.00 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 2ju8 s LYS 57 CO 0.00 0.09 0.13 0.54 -0.36 0.00 0.00 175.35 175.75 2ju8 s VAL 58 N 0.39 5.45 -0.12 4.02 0.11 -1.26 -2.25 120.40 126.73 2ju8 s VAL 58 Ca -0.08 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 2ju8 s VAL 58 Cb -0.12 -3.38 0.01 0.00 -1.53 0.00 0.00 36.38 31.37 2ju8 s VAL 58 CO 0.02 0.61 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.59 2ju8 s ILE 59 N -0.92 1.68 -0.04 7.04 1.01 0.13 -5.01 121.20 125.09 2ju8 s ILE 59 Ca 0.14 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.11 2ju8 s ILE 59 Cb -0.12 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 2ju8 s ILE 59 CO 0.03 0.48 -0.20 -1.38 0.00 0.00 0.00 174.94 173.87 2ju8 s HIS 60 N 1.00 2.53 0.10 3.97 -3.43 -1.26 -0.38 115.29 117.81 2ju8 s HIS 60 Ca -0.05 -0.30 -0.00 0.00 -0.80 0.00 0.00 55.06 53.90 2ju8 s HIS 60 Cb -0.15 -1.57 -0.04 0.00 -1.43 0.00 0.00 32.58 29.39 2ju8 s HIS 60 CO -0.03 0.07 -0.01 -0.80 -2.00 0.00 0.00 174.74 171.98 2ju8 s ASN 61 N -0.65 0.64 -0.08 7.38 0.02 -0.12 -5.00 114.94 117.14 2ju8 s ASN 61 Ca 0.10 -1.08 -0.03 0.00 -1.02 0.00 0.00 52.86 50.83 2ju8 s ASN 61 Cb -0.10 0.20 0.04 0.00 0.02 0.00 0.00 41.25 41.41 2ju8 s ASN 61 CO -0.00 -0.61 0.16 -0.70 0.02 0.00 0.00 177.10 175.97 2ju8 s GLU 62 N -3.94 0.09 0.00 -0.60 2.12 -1.26 -2.75 118.70 112.36 2ju8 s GLU 62 Ca 0.15 0.45 -0.14 0.00 0.36 0.00 0.00 54.97 55.79 2ju8 s GLU 62 Cb 0.07 -0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.29 2ju8 s GLU 62 CO -0.04 -0.21 0.30 -0.59 -0.54 0.00 0.00 175.26 174.18 2ju8 s PHE 63 N 1.55 -0.15 -0.14 5.30 -0.12 -1.14 -4.95 117.98 118.34 2ju8 s PHE 63 Ca -0.05 0.16 -0.01 0.00 -0.05 0.00 0.00 56.93 56.98 2ju8 s PHE 63 Cb -0.12 0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.35 2ju8 s PHE 63 CO -0.06 -0.42 -0.11 0.99 -0.05 0.00 0.00 175.22 175.57 2ju8 s THR 64 N -1.67 3.17 0.22 -4.49 2.01 -1.26 -2.19 115.64 111.43 2ju8 s THR 64 Ca -0.11 -0.61 -0.31 0.00 0.31 0.00 0.00 61.69 60.96 2ju8 s THR 64 Cb -0.04 -2.35 -0.14 0.00 0.01 0.00 0.00 72.50 69.98 2ju8 s THR 64 CO 0.02 0.51 1.23 0.18 -0.69 0.00 0.00 174.62 175.87 2ju8 n LEU 65 N 3.63 2.19 -3.22 4.42 4.77 -0.85 -2.53 117.00 125.41 2ju8 n LEU 65 Ca -0.18 1.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.80 2ju8 n LEU 65 Cb 0.52 -1.31 0.08 0.00 -2.33 0.00 0.00 43.42 40.38 2ju8 n LEU 65 CO 0.31 -1.01 0.08 0.61 -1.33 0.00 0.00 177.39 176.05 2ju8 n GLY 66 N 1.88 -0.55 3.60 -0.72 0.00 -0.15 -5.01 105.19 104.24 2ju8 n GLY 66 Ca 0.12 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.94 0.76 -0.18 1.61 2.56 -1.05 -5.03 118.70 112.42 2ju8 s GLU 67 Ca 0.14 0.56 -0.27 0.00 0.00 0.00 0.00 54.97 55.40 2ju8 s GLU 67 Cb -0.02 0.37 -0.01 0.00 2.00 0.00 0.00 34.13 36.47 2ju8 s GLU 67 CO 0.68 -0.16 0.91 -2.00 -0.56 0.00 0.00 175.26 174.13 2ju8 s GLU 68 N -0.32 4.29 0.14 4.30 2.12 -1.26 -3.42 118.70 124.55 2ju8 s GLU 68 Ca -0.02 1.15 0.09 0.00 0.36 0.00 0.00 54.97 56.55 2ju8 s GLU 68 Cb -0.03 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2ju8 s GLU 68 CO 0.01 -0.43 -0.22 0.00 -0.54 0.00 0.00 175.26 174.09 2ju8 s GLU 70 N -2.32 3.98 0.07 0.00 2.12 -1.26 -1.50 118.70 119.79 2ju8 s GLU 70 Ca 0.13 -0.19 0.10 0.00 0.36 0.00 0.00 54.97 55.36 2ju8 s GLU 70 Cb -0.08 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 2ju8 s GLU 70 CO 0.06 -0.19 -0.26 -1.17 -0.54 0.00 0.00 175.26 173.15 2ju8 s LEU 71 N 1.81 2.21 -0.17 2.70 2.96 -0.48 -4.96 118.68 122.75 2ju8 s LEU 71 Ca 0.10 -0.63 -0.24 0.00 -0.22 0.00 0.00 54.13 53.13 2ju8 s LEU 71 Cb -0.16 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2ju8 s LEU 71 CO 0.10 0.23 0.79 -0.70 -1.32 0.00 0.00 176.35 175.45 2ju8 s GLU 72 N -1.46 4.28 0.67 1.98 2.12 -1.26 -2.46 118.70 122.57 2ju8 s GLU 72 Ca 0.12 0.93 -0.08 0.00 0.36 0.00 0.00 54.97 56.30 2ju8 s GLU 72 Cb -0.10 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.75 2ju8 s GLU 72 CO 0.03 -0.30 1.01 0.95 -0.54 0.00 0.00 175.26 176.41 2ju8 s THR 73 N 2.06 3.21 -0.69 -1.70 -4.23 -1.07 -4.95 115.64 108.27 2ju8 s THR 73 Ca 0.36 0.10 0.19 0.00 -1.18 0.00 0.00 61.69 61.17 2ju8 s THR 73 Cb -0.16 -3.34 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2ju8 s THR 73 CO 0.12 -0.39 1.60 1.15 -0.54 0.00 0.00 174.62 176.55 2ju8 n MET 74 N -2.84 0.11 0.05 3.99 0.00 -1.26 -2.20 117.12 114.97 2ju8 n MET 74 Ca 0.06 0.37 -0.08 0.00 0.00 0.00 0.00 57.70 58.04 2ju8 n MET 74 Cb 0.58 -1.72 -0.13 0.00 0.00 0.00 0.00 33.22 31.96 2ju8 n MET 74 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2ju8 h THR 75 N 0.00 1.57 0.00 3.17 1.35 -1.98 -3.48 112.91 113.54 2ju8 h THR 75 Ca 0.00 -3.28 0.00 0.00 -0.55 0.00 0.00 66.41 62.58 2ju8 h THR 75 Cb 0.30 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 2ju8 h THR 75 CO 0.00 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 2ju8 n GLY 76 N 1.40 1.21 3.67 5.82 0.00 -0.93 -5.11 105.19 111.25 2ju8 n GLY 76 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.43 2.83 -0.15 1.61 2.12 -1.26 -4.92 118.70 118.50 2ju8 s GLU 77 Ca 0.00 -0.56 -0.25 0.00 0.36 0.00 0.00 54.97 54.53 2ju8 s GLU 77 Cb 0.00 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 2ju8 s GLU 77 CO 0.00 0.65 0.79 0.15 -0.54 0.00 0.00 175.26 176.30 2ju8 s LYS 78 N -1.32 4.32 0.05 4.30 -0.14 -1.26 -2.59 119.74 123.11 2ju8 s LYS 78 Ca 0.17 0.96 0.07 0.00 -1.36 0.00 0.00 55.97 55.81 2ju8 s LYS 78 Cb -0.11 -3.54 -0.03 0.00 -1.68 0.00 0.00 37.83 32.47 2ju8 s LYS 78 CO 0.07 -0.23 -0.19 0.14 -0.76 0.00 0.00 175.35 174.39 2ju8 s VAL 79 N 1.80 1.53 -0.13 3.17 -7.23 -1.03 -4.99 120.40 113.53 2ju8 s VAL 79 Ca 0.37 -1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 59.29 2ju8 s VAL 79 Cb -0.17 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2ju8 s VAL 79 CO 0.14 0.11 0.04 -0.54 -0.31 0.00 0.00 175.10 174.53 2ju8 s LYS 80 N -1.30 3.45 -0.07 4.82 1.02 -1.26 -1.38 119.74 125.02 2ju8 s LYS 80 Ca 0.06 -0.35 -0.09 0.00 0.02 0.00 0.00 55.97 55.61 2ju8 s LYS 80 Cb -0.09 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2ju8 s LYS 80 CO 0.02 0.53 0.23 0.00 -0.92 0.00 0.00 175.35 175.21 2ju8 s ALA 81 N -0.38 -0.56 -0.26 5.17 0.00 -0.56 -4.51 121.76 120.66 2ju8 s ALA 81 Ca 0.08 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 2ju8 s ALA 81 Cb -0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2ju8 s ALA 81 CO 0.02 -0.14 0.28 0.08 0.00 0.00 0.00 175.76 176.00 2ju8 s VAL 82 N -0.25 5.25 -0.24 0.00 1.01 -1.20 -1.68 120.40 123.28 2ju8 s VAL 82 Ca -0.04 0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 2ju8 s VAL 82 Cb -0.03 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2ju8 s VAL 82 CO 0.01 0.24 0.07 0.54 0.00 0.00 0.00 175.10 175.95 2ju8 s VAL 83 N 1.67 4.30 0.06 2.92 0.11 -1.22 -2.98 120.40 125.26 2ju8 s VAL 83 Ca 0.12 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2ju8 s VAL 83 Cb -0.15 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 2ju8 s VAL 83 CO 0.09 0.35 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.58 2ju8 s LYS 84 N 1.55 0.65 -0.09 1.54 1.02 -0.56 -0.97 119.74 122.87 2ju8 s LYS 84 Ca 0.06 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.08 2ju8 s LYS 84 Cb -0.15 -0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 36.73 2ju8 s LYS 84 CO 0.03 0.06 0.11 0.00 -0.92 0.00 0.00 175.35 174.64 2ju8 s MET 85 N -2.07 3.32 0.20 1.68 0.23 -1.26 -0.72 119.30 120.68 2ju8 s MET 85 Ca -0.04 -0.23 0.22 0.00 -1.03 0.00 0.00 55.69 54.61 2ju8 s MET 85 Cb -0.07 -3.08 -0.00 0.00 -1.53 0.00 0.00 34.83 30.15 2ju8 s MET 85 CO -0.00 0.74 1.05 1.49 -2.03 0.00 0.00 175.02 176.27 2ju8 h GLU 86 N 4.80 0.00 0.00 3.16 4.57 -1.22 -3.45 114.58 122.44 2ju8 h GLU 86 Ca -0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2ju8 h GLU 86 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2ju8 h GLU 86 CO 0.59 0.03 0.00 0.41 -1.18 0.00 0.00 179.01 178.86 2ju8 n GLY 87 N 1.20 1.04 3.69 1.92 0.00 -0.67 -4.94 105.19 107.42 2ju8 n GLY 87 Ca -0.01 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2ju8 n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ju8 s ASP 88 N -4.00 6.35 -0.26 1.61 1.11 -1.26 -4.36 116.67 115.86 2ju8 s ASP 88 Ca 0.00 0.40 0.00 0.00 0.18 0.00 0.00 52.55 53.13 2ju8 s ASP 88 Cb 0.00 -2.18 0.00 0.00 1.07 0.00 0.00 42.92 41.81 2ju8 s ASP 88 CO 0.00 0.03 0.00 -0.46 1.18 0.00 0.00 175.17 175.92 2ju8 n ASN 89 N 4.09 -2.85 -3.81 0.27 6.94 -0.70 -4.87 115.26 114.34 2ju8 n ASN 89 Ca -0.11 0.06 -0.17 0.00 -0.02 0.00 0.00 54.58 54.33 2ju8 n ASN 89 Cb 0.52 -2.11 -0.16 0.00 -2.36 0.00 0.00 39.78 35.66 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 -1.43 0.29 -0.04 -3.83 1.02 -1.26 -2.86 119.74 111.64 2ju8 s LYS 90 Ca 0.00 0.09 -0.02 0.00 0.02 0.00 0.00 55.97 56.07 2ju8 s LYS 90 Cb 0.00 -0.50 0.03 0.00 -0.52 0.00 0.00 37.83 36.84 2ju8 s LYS 90 CO 0.00 -0.15 0.08 -1.64 -0.92 0.00 0.00 175.35 172.72 2ju8 s MET 91 N 1.11 0.04 -0.23 1.68 -1.94 -0.61 -0.69 119.30 118.67 2ju8 s MET 91 Ca -0.09 0.22 -0.04 0.00 -1.71 0.00 0.00 55.69 54.08 2ju8 s MET 91 Cb -0.13 -0.14 -0.00 0.00 2.01 0.00 0.00 34.83 36.56 2ju8 s MET 91 CO -0.02 -0.12 -0.04 0.14 -0.01 0.00 0.00 175.02 174.97 2ju8 s VAL 92 N 0.80 3.35 -0.05 -6.03 -7.23 0.11 -2.74 120.40 108.60 2ju8 s VAL 92 Ca -0.06 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.54 2ju8 s VAL 92 Cb -0.09 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2ju8 s VAL 92 CO -0.03 0.37 -0.04 0.28 -0.31 0.00 0.00 175.10 175.37 2ju8 s THR 93 N 1.46 0.55 -0.11 5.32 -1.32 -1.06 -1.50 115.64 118.99 2ju8 s THR 93 Ca 0.05 -0.09 0.04 0.00 -1.21 0.00 0.00 61.69 60.47 2ju8 s THR 93 Cb -0.15 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 2ju8 s THR 93 CO -0.03 0.24 -0.23 -0.89 -2.21 0.00 0.00 174.62 171.51 2ju8 s THR 94 N 1.16 1.98 -0.03 5.08 2.01 -1.16 -2.65 115.64 122.02 2ju8 s THR 94 Ca -0.07 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 2ju8 s THR 94 Cb -0.14 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.67 2ju8 s THR 94 CO -0.01 0.54 0.02 0.72 -0.69 0.00 0.00 174.62 175.19 2ju8 s PHE 95 N 0.47 0.26 0.00 4.92 -0.71 -1.21 -3.26 117.98 118.45 2ju8 s PHE 95 Ca -0.16 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.78 2ju8 s PHE 95 Cb -0.17 -0.43 0.00 0.00 -1.21 0.00 0.00 43.02 41.20 2ju8 s PHE 95 CO 0.06 -0.15 0.00 1.63 -1.34 0.00 0.00 175.22 175.42 2ju8 n LYS 96 N 4.46 0.00 -0.18 1.99 4.76 -1.26 -2.05 118.16 125.88 2ju8 n LYS 96 Ca -0.21 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.21 2ju8 n LYS 96 Cb 0.50 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.72 2ju8 n LYS 96 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ju8 n GLY 97 N 0.00 2.26 3.26 0.72 0.00 -1.26 -4.80 105.19 105.37 2ju8 n GLY 97 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.63 1.90 -0.20 -0.61 1.09 -0.87 -4.89 121.20 116.99 2ju8 s ILE 98 Ca 0.09 -1.01 -0.13 0.00 -1.10 0.00 0.00 60.65 58.50 2ju8 s ILE 98 Cb 0.07 -1.59 -0.05 0.00 -1.06 0.00 0.00 42.46 39.84 2ju8 s ILE 98 CO 0.02 0.53 0.27 -0.75 -0.10 0.00 0.00 174.94 174.91 2ju8 s LYS 99 N -0.37 4.17 -0.16 2.79 2.47 -1.23 -3.29 119.74 124.13 2ju8 s LYS 99 Ca 0.04 -0.01 0.01 0.00 -1.56 0.00 0.00 55.97 54.44 2ju8 s LYS 99 Cb -0.11 -3.49 0.02 0.00 -1.46 0.00 0.00 37.83 32.79 2ju8 s LYS 99 CO 0.01 0.11 -0.18 0.45 0.16 0.00 0.00 175.35 175.90 2ju8 s SER 100 N 0.79 2.94 -0.11 1.43 0.15 -1.09 -2.70 113.70 115.12 2ju8 s SER 100 Ca 0.14 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2ju8 s SER 100 Cb -0.13 -1.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.84 2ju8 s SER 100 CO 0.04 -0.01 -0.09 -0.69 1.20 0.00 0.00 173.24 173.70 2ju8 s VAL 101 N 1.27 1.11 -0.12 4.45 1.01 -0.58 -2.55 120.40 124.99 2ju8 s VAL 101 Ca 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2ju8 s VAL 101 Cb -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2ju8 s VAL 101 CO -0.10 0.38 -0.14 -0.89 0.00 0.00 0.00 175.10 174.35 2ju8 s THR 102 N 1.46 3.00 -0.19 3.92 2.01 -1.11 -1.20 115.64 123.53 2ju8 s THR 102 Ca 0.01 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 2ju8 s THR 102 Cb -0.13 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2ju8 s THR 102 CO -0.06 0.53 0.31 -0.70 -0.69 0.00 0.00 174.62 174.01 2ju8 s GLU 103 N 0.22 4.19 -0.27 4.92 -6.30 -0.71 -1.57 118.70 119.19 2ju8 s GLU 103 Ca -0.09 0.06 -0.05 0.00 -2.50 0.00 0.00 54.97 52.39 2ju8 s GLU 103 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.49 2ju8 s GLU 103 CO 0.05 0.10 0.03 0.12 0.02 0.00 0.00 175.26 175.58 2ju8 s PHE 104 N 0.90 3.09 0.15 5.30 5.36 -1.13 -2.82 117.98 128.83 2ju8 s PHE 104 Ca 0.16 -1.01 0.08 0.00 -0.96 0.00 0.00 56.93 55.20 2ju8 s PHE 104 Cb -0.14 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.32 2ju8 s PHE 104 CO 0.05 -0.57 -0.19 -0.80 -1.46 0.00 0.00 175.22 172.25 2ju8 s ASN 105 N 1.48 2.64 0.00 6.13 0.02 -0.67 -1.72 114.94 122.81 2ju8 s ASN 105 Ca 0.03 -0.81 0.00 0.00 -1.02 0.00 0.00 52.86 51.06 2ju8 s ASN 105 Cb -0.16 -0.15 0.00 0.00 0.02 0.00 0.00 41.25 40.96 2ju8 s ASN 105 CO 0.00 -0.01 0.71 0.61 0.02 0.00 0.00 177.10 178.43 2ju8 n GLY 106 N 0.50 1.38 0.00 0.66 0.00 -1.26 -3.13 105.19 103.34 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 0.72 0.00 -3.91 1.61 5.68 -1.26 -5.02 116.55 114.37 2ju8 n ASP 107 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.18 2ju8 n ASP 107 Cb 0.34 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.02 0.05 -0.09 2.12 -1.32 -1.18 -1.01 115.64 114.19 2ju8 s THR 108 Ca 0.00 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 60.02 2ju8 s THR 108 Cb 0.00 -0.18 0.03 0.00 -1.51 0.00 0.00 72.50 70.83 2ju8 s THR 108 CO 0.00 -0.25 -0.04 -0.63 -2.21 0.00 0.00 174.62 171.49 2ju8 s ILE 109 N -0.75 0.71 -0.06 5.08 -1.09 -1.13 -1.67 121.20 122.28 2ju8 s ILE 109 Ca -0.08 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 2ju8 s ILE 109 Cb -0.05 -0.79 -0.02 0.00 -1.58 0.00 0.00 42.46 40.02 2ju8 s ILE 109 CO -0.00 0.31 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.95 2ju8 s THR 110 N 1.78 2.71 -0.12 2.92 2.01 -1.13 -2.94 115.64 120.87 2ju8 s THR 110 Ca 0.04 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 2ju8 s THR 110 Cb -0.13 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 2ju8 s THR 110 CO -0.06 0.57 -0.12 0.21 -0.69 0.00 0.00 174.62 174.53 2ju8 s ASN 111 N -0.40 4.14 -0.20 3.53 3.04 -1.15 -1.74 114.94 122.17 2ju8 s ASN 111 Ca 0.04 -0.27 0.02 0.00 0.04 0.00 0.00 52.86 52.69 2ju8 s ASN 111 Cb -0.12 -1.51 0.03 0.00 -1.54 0.00 0.00 41.25 38.12 2ju8 s ASN 111 CO 0.02 0.20 -0.17 -0.89 -3.04 0.00 0.00 177.10 173.22 2ju8 s THR 112 N 0.14 2.05 -0.14 -5.21 2.01 -0.34 -2.09 115.64 112.07 2ju8 s THR 112 Ca -0.06 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.81 2ju8 s THR 112 Cb -0.15 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.42 2ju8 s THR 112 CO 0.04 0.35 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.15 2ju8 s MET 113 N 1.25 2.16 -0.13 4.92 -1.94 -0.55 -1.53 119.30 123.47 2ju8 s MET 113 Ca 0.01 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 2ju8 s MET 113 Cb -0.15 -1.99 0.01 0.00 2.01 0.00 0.00 34.83 34.71 2ju8 s MET 113 CO -0.10 -0.22 -0.20 0.99 -0.01 0.00 0.00 175.02 175.48 2ju8 s THR 114 N 1.45 1.89 -0.13 2.05 2.01 -1.10 -0.69 115.64 121.12 2ju8 s THR 114 Ca 0.03 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 2ju8 s THR 114 Cb -0.13 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.74 2ju8 s THR 114 CO -0.09 0.52 0.02 -0.22 -0.69 0.00 0.00 174.62 174.15 2ju8 s LEU 115 N 0.87 0.83 0.00 4.42 2.96 -1.14 -3.52 118.68 123.10 2ju8 s LEU 115 Ca -0.07 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 2ju8 s LEU 115 Cb -0.15 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.03 2ju8 s LEU 115 CO -0.02 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 2ju8 n GLY 116 N 5.11 2.22 0.25 7.98 0.00 -1.26 -2.77 105.19 116.73 2ju8 n GLY 116 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 4.25 0.00 -4.70 1.61 2.03 -1.26 -5.13 116.55 113.36 2ju8 n ASP 117 Ca 0.00 -0.79 -0.35 0.00 0.52 0.00 0.00 54.79 54.17 2ju8 n ASP 117 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.00 4.59 -0.26 5.18 1.01 -1.11 -5.09 121.20 125.51 2ju8 s ILE 118 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 2ju8 s ILE 118 Cb 0.00 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 2ju8 s ILE 118 CO 0.00 0.58 0.04 -0.69 0.00 0.00 0.00 174.94 174.87 2ju8 s VAL 119 N -0.61 3.86 -0.27 2.92 1.01 -1.26 -2.86 120.40 123.19 2ju8 s VAL 119 Ca 0.11 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 2ju8 s VAL 119 Cb -0.12 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2ju8 s VAL 119 CO 0.02 0.23 0.16 -0.47 0.00 0.00 0.00 175.10 175.04 2ju8 s TYR 120 N 1.52 3.18 -0.10 5.22 6.14 0.14 -4.58 117.35 128.87 2ju8 s TYR 120 Ca 0.04 -0.06 0.01 0.00 0.64 0.00 0.00 57.07 57.70 2ju8 s TYR 120 Cb -0.16 -2.34 0.02 0.00 0.42 0.00 0.00 41.96 39.90 2ju8 s TYR 120 CO 0.01 -0.23 -0.11 0.15 0.64 0.00 0.00 175.55 176.01 2ju8 s LYS 121 N 1.71 1.78 -0.21 4.97 1.02 -1.25 -1.49 119.74 126.27 2ju8 s LYS 121 Ca 0.07 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 55.60 2ju8 s LYS 121 Cb -0.16 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 2ju8 s LYS 121 CO 0.09 -0.13 0.05 0.50 -0.92 0.00 0.00 175.35 174.94 2ju8 s ARG 122 N 1.20 3.76 -0.26 1.68 3.52 -0.89 -3.92 118.95 124.05 2ju8 s ARG 122 Ca -0.04 -0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 55.03 2ju8 s ARG 122 Cb -0.14 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2ju8 s ARG 122 CO -0.03 0.03 0.12 0.08 -0.81 0.00 0.00 175.30 174.69 2ju8 s VAL 123 N 1.02 4.78 -0.01 7.11 1.01 -1.21 -2.93 120.40 130.17 2ju8 s VAL 123 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2ju8 s VAL 123 Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2ju8 s VAL 123 CO 0.03 0.30 -0.09 -0.44 0.00 0.00 0.00 175.10 174.90 2ju8 s SER 124 N 1.64 1.04 -0.07 3.32 0.01 -1.15 -1.16 113.70 117.33 2ju8 s SER 124 Ca 0.07 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 2ju8 s SER 124 Cb -0.15 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 2ju8 s SER 124 CO 0.07 0.10 0.01 -1.59 0.41 0.00 0.00 173.24 172.23 2ju8 s LYS 125 N -0.15 2.95 -0.16 12.44 -2.85 -0.97 -2.86 119.74 128.15 2ju8 s LYS 125 Ca 0.02 -0.44 -0.29 0.00 -1.00 0.00 0.00 55.97 54.26 2ju8 s LYS 125 Cb -0.04 -2.78 -0.00 0.00 -2.06 0.00 0.00 37.83 32.95 2ju8 s LYS 125 CO -0.00 0.69 1.04 0.50 0.10 0.00 0.00 175.35 177.67 2ju8 s ARG 126 N -1.05 4.34 0.00 1.78 3.00 -0.18 -0.88 118.95 125.96 2ju8 s ARG 126 Ca 0.15 1.39 0.00 0.00 -1.00 0.00 0.00 55.73 56.27 2ju8 s ARG 126 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 34.95 31.24 2ju8 s ARG 126 CO 0.04 -0.47 0.02 0.44 0.00 0.00 0.00 175.30 175.33