#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju3 s ASN 2 N 0.00 6.38 -1.02 7.83 4.22 -1.26 -4.90 114.94 126.19 2ju3 s ASN 2 Ca 0.00 -1.41 -0.22 0.00 -2.14 0.00 0.00 52.86 49.09 2ju3 s ASN 2 Cb 0.00 -2.57 -0.10 0.00 1.28 0.00 0.00 41.25 39.86 2ju3 s ASN 2 CO 0.00 -1.62 1.93 0.49 -2.04 0.00 0.00 177.10 175.86 2ju3 n PHE 3 N 9.38 2.53 -4.38 1.54 3.72 -1.24 -4.67 117.46 124.35 2ju3 n PHE 3 Ca 0.34 -1.81 -0.34 0.00 -0.05 0.00 0.00 57.45 55.59 2ju3 n PHE 3 Cb 0.50 -2.20 -0.09 0.00 -0.94 0.00 0.00 39.48 36.75 2ju3 n PHE 3 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ju3 s SER 4 N 5.44 5.09 0.00 4.37 0.15 -1.22 -1.50 113.70 126.03 2ju3 s SER 4 Ca 0.61 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2ju3 s SER 4 Cb 0.07 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2ju3 s SER 4 CO 0.11 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2ju3 n GLY 5 N 1.84 -0.56 3.23 9.45 0.00 0.23 -4.92 105.19 114.45 2ju3 n GLY 5 Ca -0.17 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 2ju3 n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ju3 s LYS 6 N -2.00 2.15 -0.16 1.61 2.47 -1.26 -0.87 119.74 121.69 2ju3 s LYS 6 Ca 0.00 -0.80 -0.00 0.00 -1.56 0.00 0.00 55.97 53.60 2ju3 s LYS 6 Cb 0.00 -1.90 0.04 0.00 -1.46 0.00 0.00 37.83 34.51 2ju3 s LYS 6 CO 0.00 0.37 -0.06 0.71 0.16 0.00 0.00 175.35 176.53 2ju3 s TYR 7 N -0.21 1.70 -0.22 4.03 1.51 0.23 -2.49 117.35 121.90 2ju3 s TYR 7 Ca -0.00 -1.05 -0.14 0.00 -1.01 0.00 0.00 57.07 54.87 2ju3 s TYR 7 Cb -0.12 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2ju3 s TYR 7 CO 0.02 -0.60 0.30 -1.14 -1.11 0.00 0.00 175.55 173.02 2ju3 s GLN 8 N 1.63 4.12 0.28 -0.62 -0.44 0.37 0.80 119.66 125.80 2ju3 s GLN 8 Ca 0.02 -0.00 -0.30 0.00 -2.50 0.00 0.00 55.36 52.58 2ju3 s GLN 8 Cb -0.15 -3.55 -0.11 0.00 -1.64 0.00 0.00 33.01 27.56 2ju3 s GLN 8 CO -0.08 -0.03 1.56 0.08 0.50 0.00 0.00 175.29 177.32 2ju3 s VAL 9 N 1.30 2.20 -0.00 1.34 1.01 -0.22 0.04 120.40 126.06 2ju3 s VAL 9 Ca 0.14 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 2ju3 s VAL 9 Cb -0.14 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 2ju3 s VAL 9 CO 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 175.10 175.19 2ju3 n GLN 10 N 2.18 0.01 -3.91 2.72 1.13 0.34 -4.60 117.38 115.24 2ju3 n GLN 10 Ca 0.08 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.86 2ju3 n GLN 10 Cb 0.38 -0.37 -0.04 0.00 0.11 0.00 0.00 30.24 30.33 2ju3 n GLN 10 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2ju3 s SER 11 N -4.38 6.36 0.08 1.08 0.01 -0.89 -4.91 113.70 111.05 2ju3 s SER 11 Ca -0.01 0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.35 2ju3 s SER 11 Cb 0.00 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.31 2ju3 s SER 11 CO 0.01 0.10 0.32 -1.10 0.41 0.00 0.00 173.24 172.99 2ju3 s GLN 12 N -2.89 0.91 0.10 12.44 -0.21 -1.26 0.18 119.66 128.93 2ju3 s GLN 12 Ca 0.35 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 55.14 2ju3 s GLN 12 Cb -0.12 0.39 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 2ju3 s GLN 12 CO 0.28 -0.32 -0.12 -1.21 -2.12 0.00 0.00 175.29 171.81 2ju3 s GLU 13 N -3.17 0.89 -1.34 2.91 0.41 0.22 -4.87 118.70 113.74 2ju3 s GLU 13 Ca -0.01 -1.14 -0.07 0.00 -0.41 0.00 0.00 54.97 53.34 2ju3 s GLU 13 Cb 0.01 -0.67 0.05 0.00 -1.78 0.00 0.00 34.13 31.74 2ju3 s GLU 13 CO -0.07 0.12 0.49 0.09 -0.49 0.00 0.00 175.26 175.40 2ju3 n ASN 14 N 0.67 -4.38 -0.05 -0.19 4.13 -1.26 -2.67 115.26 111.51 2ju3 n ASN 14 Ca -0.17 -0.32 -0.16 0.00 1.68 0.00 0.00 54.58 55.61 2ju3 n ASN 14 Cb 0.57 -3.60 -0.06 0.00 -1.54 0.00 0.00 39.78 35.15 2ju3 n ASN 14 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2ju3 h PHE 15 N -1.03 0.99 0.75 3.10 3.04 -1.89 -2.79 116.94 119.11 2ju3 h PHE 15 Ca -0.45 -0.39 -0.03 0.00 3.98 0.00 0.00 57.97 61.08 2ju3 h PHE 15 Cb 1.30 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.65 2ju3 h PHE 15 CO 0.63 1.20 -0.40 0.93 -2.02 0.00 0.00 178.31 178.65 2ju3 h GLU 16 N 0.49 -1.03 -0.09 1.11 3.07 -1.87 0.25 114.58 116.51 2ju3 h GLU 16 Ca -0.02 0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 2ju3 h GLU 16 Cb 1.21 0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 29.35 2ju3 h GLU 16 CO 0.13 -0.68 0.03 -1.00 -1.40 0.00 0.00 179.01 176.08 2ju3 h PRO 17 N -1.07 0.12 0.05 2.33 0.13 -1.95 1.11 132.00 132.73 2ju3 h PRO 17 Ca -0.10 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2ju3 h PRO 17 Cb 0.84 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2ju3 h PRO 17 CO 0.14 0.11 -0.02 0.35 -0.23 0.00 0.00 178.00 178.34 2ju3 h PHE 18 N 0.12 -0.06 -0.06 1.56 3.57 -1.20 -2.31 116.94 118.56 2ju3 h PHE 18 Ca 0.03 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 2ju3 h PHE 18 Cb 0.04 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2ju3 h PHE 18 CO 0.00 0.51 -0.44 0.52 -2.23 0.00 0.00 178.31 176.66 2ju3 h MET 19 N -0.70 0.14 -0.16 1.11 2.86 -0.00 0.10 114.93 118.27 2ju3 h MET 19 Ca -0.01 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2ju3 h MET 19 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2ju3 h MET 19 CO 0.01 0.56 0.05 0.87 1.06 0.00 0.00 176.91 179.46 2ju3 h LYS 20 N 0.11 0.12 0.00 1.72 1.57 0.12 0.74 116.57 120.95 2ju3 h LYS 20 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ju3 h LYS 20 Cb 0.83 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2ju3 h LYS 20 CO 0.06 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 2ju3 h ALA 21 N 1.10 1.00 0.00 3.86 0.00 -1.14 -0.13 119.26 123.96 2ju3 h ALA 21 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ju3 h ALA 21 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ju3 h ALA 21 CO -0.08 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 2ju3 n MET 22 N -2.64 0.19 0.00 0.00 2.81 0.33 -4.88 117.12 112.93 2ju3 n MET 22 Ca 0.02 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2ju3 n MET 22 Cb 0.32 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2ju3 n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ju3 n GLY 23 N 1.29 1.29 3.72 3.03 0.00 0.28 -5.02 105.19 109.77 2ju3 n GLY 23 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2ju3 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ju3 s LEU 24 N 0.00 4.30 0.43 0.99 2.96 0.23 -4.97 118.68 122.62 2ju3 s LEU 24 Ca 0.00 1.05 -0.24 0.00 -0.22 0.00 0.00 54.13 54.72 2ju3 s LEU 24 Cb 0.00 -2.94 -0.08 0.00 0.50 0.00 0.00 46.19 43.67 2ju3 s LEU 24 CO 0.00 -0.08 1.18 -2.16 -1.32 0.00 0.00 176.35 173.98 2ju3 s PRO 25 N 0.75 3.91 0.53 0.98 0.04 -1.26 -4.06 135.00 135.89 2ju3 s PRO 25 Ca 0.33 1.85 0.28 0.00 0.04 0.00 0.00 61.00 63.51 2ju3 s PRO 25 Cb -0.17 -2.57 1.43 0.00 0.04 0.00 0.00 34.50 33.23 2ju3 s PRO 25 CO 0.15 -0.44 1.95 1.05 0.04 0.00 0.00 177.00 179.75 2ju3 h GLU 26 N 2.39 0.00 -0.25 4.56 4.11 -1.96 0.74 114.58 124.17 2ju3 h GLU 26 Ca -0.49 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 2ju3 h GLU 26 Cb 1.24 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2ju3 h GLU 26 CO 0.61 0.00 0.01 0.22 0.07 0.00 0.00 179.01 179.92 2ju3 h ASP 27 N 0.00 0.44 0.50 3.06 3.58 -1.99 0.25 116.42 122.25 2ju3 h ASP 27 Ca 0.33 -0.30 -0.17 0.00 0.42 0.00 0.00 57.03 57.30 2ju3 h ASP 27 Cb 1.32 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2ju3 h ASP 27 CO -0.01 0.63 -0.75 -0.07 -2.88 0.00 0.00 179.24 176.16 2ju3 h LEU 28 N 0.23 0.25 -0.25 2.28 3.38 -1.24 -3.10 115.31 116.86 2ju3 h LEU 28 Ca 0.07 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2ju3 h LEU 28 Cb 0.40 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2ju3 h LEU 28 CO 0.01 0.91 0.12 0.40 0.09 0.00 0.00 178.44 179.98 2ju3 h ILE 29 N 0.13 0.99 0.00 1.22 1.08 0.54 0.34 117.51 121.82 2ju3 h ILE 29 Ca -0.03 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.33 2ju3 h ILE 29 Cb 1.33 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2ju3 h ILE 29 CO 0.11 0.05 -0.09 1.56 -0.69 0.00 0.00 178.15 179.09 2ju3 h GLN 30 N 0.27 0.00 0.00 2.37 1.08 -0.46 0.14 115.11 118.50 2ju3 h GLN 30 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2ju3 h GLN 30 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2ju3 h GLN 30 CO -0.07 0.09 -0.17 0.87 -0.95 0.00 0.00 178.83 178.60 2ju3 h LYS 31 N 0.00 0.00 0.00 1.46 1.57 -1.35 -3.37 116.57 114.88 2ju3 h LYS 31 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ju3 h LYS 31 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2ju3 h LYS 31 CO 0.01 0.00 -0.00 0.78 -0.57 0.00 0.00 179.45 179.67 2ju3 h GLY 32 N -0.89 0.00 2.00 3.86 0.00 -0.23 -2.61 103.07 105.19 2ju3 h GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ju3 h GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.12 2ju3 n LYS 33 N -3.18 0.14 -0.00 4.80 2.85 0.47 -0.80 118.16 122.44 2ju3 n LYS 33 Ca -0.03 0.60 0.08 0.00 -1.05 0.00 0.00 58.31 57.91 2ju3 n LYS 33 Cb 0.09 -1.92 -0.11 0.00 -0.65 0.00 0.00 35.03 32.45 2ju3 n LYS 33 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2ju3 n ASP 34 N -2.21 0.83 -4.75 -5.58 2.03 -0.98 -4.93 116.55 100.97 2ju3 n ASP 34 Ca -0.01 -0.78 -0.40 0.00 0.52 0.00 0.00 54.79 54.11 2ju3 n ASP 34 Cb 0.06 1.12 -0.05 0.00 -0.72 0.00 0.00 41.12 41.53 2ju3 n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ju3 s ILE 35 N -2.75 3.91 0.00 5.18 1.09 0.02 -5.02 121.20 123.64 2ju3 s ILE 35 Ca 0.05 1.83 0.00 0.00 -1.10 0.00 0.00 60.65 61.42 2ju3 s ILE 35 Cb 0.13 -4.16 0.00 0.00 -1.06 0.00 0.00 42.46 37.37 2ju3 s ILE 35 CO 0.73 0.39 0.00 0.29 -0.10 0.00 0.00 174.94 176.25 2ju3 n LYS 36 N 1.73 0.51 -3.08 2.79 5.02 -1.26 -4.84 118.16 119.02 2ju3 n LYS 36 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ju3 n LYS 36 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 2ju3 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju3 n GLY 37 N 0.63 -1.21 3.60 0.72 0.00 -1.19 -1.35 105.19 106.39 2ju3 n GLY 37 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 2ju3 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ju3 s VAL 38 N -3.00 4.59 -0.22 1.61 1.01 -1.23 -1.06 120.40 122.10 2ju3 s VAL 38 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2ju3 s VAL 38 Cb 0.00 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2ju3 s VAL 38 CO 0.00 0.47 -0.11 -0.94 0.00 0.00 0.00 175.10 174.52 2ju3 s SER 39 N 0.36 3.92 -0.17 3.32 1.04 0.24 -0.75 113.70 121.66 2ju3 s SER 39 Ca 0.01 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 2ju3 s SER 39 Cb -0.13 -1.60 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 2ju3 s SER 39 CO 0.01 -0.07 0.20 -0.70 0.98 0.00 0.00 173.24 173.65 2ju3 s GLU 40 N 1.32 4.12 -0.15 4.02 2.12 0.85 0.75 118.70 131.72 2ju3 s GLU 40 Ca 0.02 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.27 2ju3 s GLU 40 Cb -0.15 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.87 2ju3 s GLU 40 CO -0.07 0.34 -0.14 0.42 -0.54 0.00 0.00 175.26 175.27 2ju3 s ILE 41 N 0.20 1.59 -0.24 -3.70 -1.09 -0.05 -1.72 121.20 116.20 2ju3 s ILE 41 Ca 0.12 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 2ju3 s ILE 41 Cb -0.12 -1.50 0.06 0.00 -1.58 0.00 0.00 42.46 39.33 2ju3 s ILE 41 CO 0.01 0.46 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.46 2ju3 s VAL 42 N 1.48 1.34 -0.40 2.92 1.01 -1.04 0.74 120.40 126.45 2ju3 s VAL 42 Ca 0.05 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 2ju3 s VAL 42 Cb -0.13 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2ju3 s VAL 42 CO -0.11 -0.18 0.31 -2.28 0.00 0.00 0.00 175.10 172.84 2ju3 s HIS 43 N 1.47 3.23 -0.37 5.22 5.04 -0.56 0.10 115.29 129.42 2ju3 s HIS 43 Ca -0.03 -0.49 -0.05 0.00 -1.54 0.00 0.00 55.06 52.95 2ju3 s HIS 43 Cb -0.18 -2.61 0.07 0.00 0.04 0.00 0.00 32.58 29.90 2ju3 s HIS 43 CO -0.08 -0.56 0.14 -2.00 -2.34 0.00 0.00 174.74 169.91 2ju3 s GLU 44 N 1.75 2.40 2.41 2.88 2.56 0.21 -3.72 118.70 127.20 2ju3 s GLU 44 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 54.97 53.59 2ju3 s GLU 44 Cb -0.18 -3.51 0.00 0.00 2.00 0.00 0.00 34.13 32.44 2ju3 s GLU 44 CO 0.11 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 2ju3 n GLY 45 N 4.73 0.95 0.29 -1.50 0.00 -1.26 -1.89 105.19 106.51 2ju3 n GLY 45 Ca -0.09 0.42 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 2ju3 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ju3 n LYS 46 N 0.00 0.40 -2.37 1.61 4.01 -1.26 -4.97 118.16 115.57 2ju3 n LYS 46 Ca 0.00 0.14 -0.41 0.00 -0.51 0.00 0.00 58.31 57.52 2ju3 n LYS 46 Cb 0.00 -1.22 -0.03 0.00 -0.51 0.00 0.00 35.03 33.27 2ju3 n LYS 46 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2ju3 s LYS 47 N -2.33 4.46 -0.09 1.97 1.02 -0.79 -2.11 119.74 121.87 2ju3 s LYS 47 Ca -0.24 1.86 -0.01 0.00 0.02 0.00 0.00 55.97 57.61 2ju3 s LYS 47 Cb 0.08 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 2ju3 s LYS 47 CO 0.35 -0.16 -0.06 0.08 -0.92 0.00 0.00 175.35 174.64 2ju3 s VAL 48 N 0.34 3.80 -0.09 3.17 1.01 0.23 0.68 120.40 129.53 2ju3 s VAL 48 Ca 0.55 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2ju3 s VAL 48 Cb -0.32 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2ju3 s VAL 48 CO 0.34 0.57 0.76 -0.54 0.00 0.00 0.00 175.10 176.23 2ju3 s LYS 49 N -0.48 4.40 -0.14 2.72 1.02 0.28 -1.36 119.74 126.18 2ju3 s LYS 49 Ca 0.07 0.96 -0.01 0.00 0.02 0.00 0.00 55.97 57.01 2ju3 s LYS 49 Cb -0.12 -3.49 0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2ju3 s LYS 49 CO 0.02 -0.07 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.16 2ju3 s LEU 50 N 1.25 1.35 -0.20 3.17 1.98 0.52 -2.50 118.68 124.24 2ju3 s LEU 50 Ca 0.39 -0.48 0.01 0.00 -2.89 0.00 0.00 54.13 51.15 2ju3 s LEU 50 Cb -0.18 -0.83 0.04 0.00 0.66 0.00 0.00 46.19 45.88 2ju3 s LEU 50 CO 0.17 -0.16 -0.10 -0.89 -1.89 0.00 0.00 176.35 173.48 2ju3 s THR 51 N 1.70 1.63 -0.16 3.68 2.01 -0.70 0.09 115.64 123.90 2ju3 s THR 51 Ca 0.03 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2ju3 s THR 51 Cb -0.14 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2ju3 s THR 51 CO -0.08 0.15 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.19 2ju3 s ILE 52 N 1.40 1.88 -0.28 1.82 1.01 0.19 -0.11 121.20 127.11 2ju3 s ILE 52 Ca -0.02 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.65 2ju3 s ILE 52 Cb -0.16 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2ju3 s ILE 52 CO -0.08 0.51 0.33 -0.89 0.00 0.00 0.00 174.94 174.81 2ju3 s THR 53 N 1.21 5.21 -0.52 2.92 2.01 0.07 0.54 115.64 127.07 2ju3 s THR 53 Ca 0.01 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 2ju3 s THR 53 Cb -0.14 -3.67 0.13 0.00 0.01 0.00 0.00 72.50 68.83 2ju3 s THR 53 CO -0.09 0.15 0.39 -0.31 -0.69 0.00 0.00 174.62 174.06 2ju3 s TYR 54 N 1.99 3.47 0.00 4.92 2.02 0.12 -3.18 117.35 126.68 2ju3 s TYR 54 Ca 0.13 -2.04 0.00 0.00 -0.37 0.00 0.00 57.07 54.78 2ju3 s TYR 54 Cb -0.16 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 37.93 2ju3 s TYR 54 CO 0.10 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.52 2ju3 n GLY 55 N 4.60 1.06 0.00 0.71 0.00 -0.46 -2.30 105.19 108.80 2ju3 n GLY 55 Ca -0.03 0.51 -0.00 0.00 0.00 0.00 0.00 46.02 46.50 2ju3 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ju3 n SER 56 N 2.67 4.71 -4.87 1.61 3.41 -1.26 -4.98 113.62 114.92 2ju3 n SER 56 Ca 0.00 -0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2ju3 n SER 56 Cb 0.00 0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 2ju3 n SER 56 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ju3 s LYS 57 N -2.00 3.87 -0.12 4.33 2.47 -0.97 -5.07 119.74 122.25 2ju3 s LYS 57 Ca -0.00 0.47 0.02 0.00 -1.56 0.00 0.00 55.97 54.89 2ju3 s LYS 57 Cb 0.00 -2.50 0.01 0.00 -1.46 0.00 0.00 37.83 33.89 2ju3 s LYS 57 CO 0.01 0.17 -0.16 0.08 0.16 0.00 0.00 175.35 175.60 2ju3 s VAL 58 N -2.02 1.59 -0.23 4.02 1.01 -1.26 0.13 120.40 123.63 2ju3 s VAL 58 Ca 0.51 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 2ju3 s VAL 58 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2ju3 s VAL 58 CO 0.22 0.46 0.08 -0.63 0.00 0.00 0.00 175.10 175.23 2ju3 s ILE 59 N 0.98 4.60 -0.19 2.22 -1.09 0.19 -4.92 121.20 123.00 2ju3 s ILE 59 Ca -0.06 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 2ju3 s ILE 59 Cb -0.15 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2ju3 s ILE 59 CO -0.02 0.37 -0.18 -2.28 -1.23 0.00 0.00 174.94 171.60 2ju3 s HIS 60 N 1.21 2.81 -0.10 3.97 2.46 -1.26 0.55 115.29 124.93 2ju3 s HIS 60 Ca 0.05 -1.55 -0.09 0.00 0.47 0.00 0.00 55.06 53.94 2ju3 s HIS 60 Cb -0.14 -1.95 0.03 0.00 -0.13 0.00 0.00 32.58 30.39 2ju3 s HIS 60 CO 0.04 -0.77 0.26 0.54 -2.47 0.00 0.00 174.74 172.34 2ju3 s ASN 61 N 1.32 -0.27 -0.09 9.88 2.20 0.11 -4.83 114.94 123.26 2ju3 s ASN 61 Ca 0.05 0.53 0.03 0.00 -0.94 0.00 0.00 52.86 52.53 2ju3 s ASN 61 Cb -0.13 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.66 2ju3 s ASN 61 CO -0.12 -0.09 -0.20 -1.61 -2.94 0.00 0.00 177.10 172.14 2ju3 s GLU 62 N 0.18 2.57 0.04 3.55 2.02 -1.26 -0.36 118.70 125.43 2ju3 s GLU 62 Ca -0.00 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.30 2ju3 s GLU 62 Cb -0.02 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 2ju3 s GLU 62 CO 0.00 0.12 -0.10 -0.59 0.02 0.00 0.00 175.26 174.72 2ju3 s PHE 63 N 0.47 0.83 -0.17 1.61 -0.12 -0.46 -4.68 117.98 115.46 2ju3 s PHE 63 Ca -0.17 -0.38 -0.07 0.00 -0.05 0.00 0.00 56.93 56.26 2ju3 s PHE 63 Cb -0.17 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 2ju3 s PHE 63 CO 0.07 -0.02 0.07 0.99 -0.05 0.00 0.00 175.22 176.28 2ju3 s THR 64 N -0.99 4.89 -0.07 -4.49 2.01 -1.26 0.78 115.64 116.52 2ju3 s THR 64 Ca -0.04 -0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2ju3 s THR 64 Cb -0.08 -3.18 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2ju3 s THR 64 CO 0.01 0.49 1.72 -0.76 -0.69 0.00 0.00 174.62 175.39 2ju3 s LEU 65 N 0.07 4.25 -0.11 4.42 2.01 -0.90 -2.04 118.68 126.39 2ju3 s LEU 65 Ca 0.06 2.21 0.00 0.00 0.01 0.00 0.00 54.13 56.41 2ju3 s LEU 65 Cb -0.12 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.55 2ju3 s LEU 65 CO 0.01 -1.03 0.00 0.61 1.01 0.00 0.00 176.35 176.95 2ju3 n GLY 66 N 4.32 0.40 3.10 -3.19 0.00 0.75 -4.90 105.19 105.68 2ju3 n GLY 66 Ca 0.18 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2ju3 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju3 s GLU 67 N -0.99 0.84 -0.12 1.61 2.12 -0.86 -4.97 118.70 116.32 2ju3 s GLU 67 Ca 0.00 -0.62 -0.29 0.00 0.36 0.00 0.00 54.97 54.41 2ju3 s GLU 67 Cb 0.00 -0.81 -0.04 0.00 0.26 0.00 0.00 34.13 33.55 2ju3 s GLU 67 CO 0.00 0.20 1.51 -2.00 -0.54 0.00 0.00 175.26 174.43 2ju3 s GLU 68 N -0.89 4.13 0.04 4.30 2.12 -1.26 -4.08 118.70 123.06 2ju3 s GLU 68 Ca 0.01 1.91 0.02 0.00 0.36 0.00 0.00 54.97 57.27 2ju3 s GLU 68 Cb -0.07 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.38 2ju3 s GLU 68 CO 0.01 -0.88 -0.08 0.00 -0.54 0.00 0.00 175.26 173.77 2ju3 s GLU 70 N -1.46 4.24 -0.22 0.00 8.01 -1.26 0.70 118.70 128.71 2ju3 s GLU 70 Ca -0.08 0.19 -0.10 0.00 0.01 0.00 0.00 54.97 54.99 2ju3 s GLU 70 Cb -0.09 -3.47 -0.05 0.00 -4.31 0.00 0.00 34.13 26.21 2ju3 s GLU 70 CO 0.00 0.13 0.13 -1.17 0.01 0.00 0.00 175.26 174.36 2ju3 s LEU 71 N 0.79 4.05 -0.23 1.80 1.98 0.16 -4.72 118.68 122.51 2ju3 s LEU 71 Ca 0.19 0.11 -0.03 0.00 -2.89 0.00 0.00 54.13 51.51 2ju3 s LEU 71 Cb -0.14 -2.07 0.00 0.00 0.66 0.00 0.00 46.19 44.65 2ju3 s LEU 71 CO 0.06 0.10 -0.06 -0.70 -1.89 0.00 0.00 176.35 173.86 2ju3 s GLU 72 N 0.85 3.18 0.64 1.98 2.12 -1.26 -1.48 118.70 124.74 2ju3 s GLU 72 Ca 0.07 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.62 2ju3 s GLU 72 Cb -0.13 -2.97 0.13 0.00 0.26 0.00 0.00 34.13 31.42 2ju3 s GLU 72 CO 0.03 -0.26 0.88 0.25 -0.54 0.00 0.00 175.26 175.61 2ju3 n THR 73 N 4.75 0.00 0.98 -1.70 -2.24 -1.25 -4.75 114.28 110.07 2ju3 n THR 73 Ca -0.18 -1.18 0.09 0.00 -2.27 0.00 0.00 64.05 60.51 2ju3 n THR 73 Cb 0.50 -1.12 0.50 0.00 -2.10 0.00 0.00 70.33 68.10 2ju3 n THR 73 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2ju3 n MET 74 N -2.69 0.38 0.00 -0.78 1.56 -1.26 -2.07 117.12 112.26 2ju3 n MET 74 Ca 0.14 0.07 0.11 0.00 -0.27 0.00 0.00 57.70 57.75 2ju3 n MET 74 Cb 0.48 -1.50 0.08 0.00 2.15 0.00 0.00 33.22 34.44 2ju3 n MET 74 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2ju3 n THR 75 N -1.18 0.00 0.00 1.12 -2.24 -1.26 -4.94 114.28 105.78 2ju3 n THR 75 Ca 0.11 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2ju3 n THR 75 Cb 0.12 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2ju3 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ju3 n GLY 76 N 1.44 2.79 3.62 3.38 0.00 -0.88 -4.97 105.19 110.57 2ju3 n GLY 76 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2ju3 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ju3 s GLU 77 N -0.08 3.92 -0.04 1.61 2.02 -1.26 -4.77 118.70 120.10 2ju3 s GLU 77 Ca 0.00 0.97 0.01 0.00 0.02 0.00 0.00 54.97 55.97 2ju3 s GLU 77 Cb 0.00 -3.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 2ju3 s GLU 77 CO 0.00 -1.10 -0.05 0.21 0.02 0.00 0.00 175.26 174.34 2ju3 s LYS 78 N 4.03 2.74 -0.05 1.61 2.20 -1.26 -3.95 119.74 125.06 2ju3 s LYS 78 Ca 0.49 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.58 2ju3 s LYS 78 Cb -0.12 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2ju3 s LYS 78 CO 0.22 0.65 -0.24 0.54 -0.36 0.00 0.00 175.35 176.16 2ju3 s VAL 79 N -0.91 1.94 0.02 4.02 0.11 -0.55 -4.86 120.40 120.16 2ju3 s VAL 79 Ca 0.15 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.88 2ju3 s VAL 79 Cb -0.11 -1.64 -0.07 0.00 -1.53 0.00 0.00 36.38 33.03 2ju3 s VAL 79 CO 0.04 0.54 1.70 -0.54 -3.33 0.00 0.00 175.10 173.51 2ju3 s LYS 80 N -0.21 4.18 0.06 1.54 1.02 -1.26 0.36 119.74 125.43 2ju3 s LYS 80 Ca -0.01 2.31 -0.03 0.00 0.02 0.00 0.00 55.97 58.26 2ju3 s LYS 80 Cb -0.13 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 2ju3 s LYS 80 CO 0.03 -0.81 0.02 0.00 -0.92 0.00 0.00 175.35 173.67 2ju3 s ALA 81 N 3.45 0.32 -0.25 5.17 0.00 0.22 -4.91 121.76 125.76 2ju3 s ALA 81 Ca 0.76 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 2ju3 s ALA 81 Cb -0.38 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2ju3 s ALA 81 CO 0.32 -0.39 -0.00 0.08 0.00 0.00 0.00 175.76 175.77 2ju3 s VAL 82 N -3.80 3.57 -0.15 0.00 1.01 -1.26 0.64 120.40 120.40 2ju3 s VAL 82 Ca 0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2ju3 s VAL 82 Cb 0.07 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2ju3 s VAL 82 CO -0.10 0.30 -0.08 0.54 0.00 0.00 0.00 175.10 175.76 2ju3 s VAL 83 N 1.48 3.42 0.16 2.92 0.11 -1.26 -4.56 120.40 122.67 2ju3 s VAL 83 Ca 0.04 -0.52 -0.05 0.00 -2.93 0.00 0.00 61.98 58.52 2ju3 s VAL 83 Cb -0.15 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 32.19 2ju3 s VAL 83 CO -0.01 0.50 0.20 -0.75 -3.33 0.00 0.00 175.10 171.70 2ju3 s LYS 84 N 0.54 1.11 0.07 1.54 2.20 -1.17 -0.18 119.74 123.86 2ju3 s LYS 84 Ca -0.06 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 53.93 2ju3 s LYS 84 Cb -0.15 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.45 2ju3 s LYS 84 CO 0.03 -0.38 1.01 -1.64 -0.36 0.00 0.00 175.35 174.01 2ju3 s MET 85 N -4.02 4.61 0.18 4.03 -1.94 -1.26 -0.75 119.30 120.15 2ju3 s MET 85 Ca 0.22 1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 55.59 2ju3 s MET 85 Cb 0.05 -3.40 -0.07 0.00 2.01 0.00 0.00 34.83 33.42 2ju3 s MET 85 CO 0.03 0.05 0.53 -2.00 -0.01 0.00 0.00 175.02 173.61 2ju3 s GLU 86 N 0.47 3.85 -0.94 2.03 -6.30 0.42 -4.84 118.70 113.39 2ju3 s GLU 86 Ca 0.50 0.33 -0.25 0.00 -2.50 0.00 0.00 54.97 53.05 2ju3 s GLU 86 Cb -0.24 -2.78 -0.18 0.00 0.00 0.00 0.00 34.13 30.93 2ju3 s GLU 86 CO 0.30 0.40 1.94 0.41 0.02 0.00 0.00 175.26 178.32 2ju3 n GLY 87 N 0.29 0.81 0.96 -1.50 0.00 -1.26 -3.25 105.19 101.23 2ju3 n GLY 87 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2ju3 n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju3 n ASP 88 N 14.09 0.00 0.00 1.61 -0.08 -1.26 -5.07 116.55 125.84 2ju3 n ASP 88 Ca 0.45 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 2ju3 n ASP 88 Cb 0.45 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.15 2ju3 n ASP 88 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2ju3 n ASN 89 N -1.72 0.00 -2.44 1.67 5.03 -1.20 -4.98 115.26 111.62 2ju3 n ASN 89 Ca 0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 2ju3 n ASN 89 Cb 0.00 0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 2ju3 n ASN 89 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2ju3 n LYS 90 N -1.79 0.46 -3.85 3.52 4.81 -1.16 -3.02 118.16 117.14 2ju3 n LYS 90 Ca 0.00 -2.05 -0.30 0.00 -0.87 0.00 0.00 58.31 55.10 2ju3 n LYS 90 Cb 0.00 1.91 -0.04 0.00 0.02 0.00 0.00 35.03 36.92 2ju3 n LYS 90 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2ju3 s MET 91 N -2.63 3.48 -0.06 1.64 -1.94 -0.97 -0.44 119.30 118.38 2ju3 s MET 91 Ca 0.22 -0.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 2ju3 s MET 91 Cb -0.00 -2.96 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 2ju3 s MET 91 CO 0.16 0.54 -0.13 0.08 -0.01 0.00 0.00 175.02 175.65 2ju3 s VAL 92 N -1.63 3.14 -0.06 -6.03 1.01 0.07 -1.00 120.40 115.91 2ju3 s VAL 92 Ca 0.37 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2ju3 s VAL 92 Cb -0.12 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2ju3 s VAL 92 CO 0.28 0.58 0.02 0.28 0.00 0.00 0.00 175.10 176.26 2ju3 s THR 93 N -0.58 0.18 -0.22 3.92 -1.32 0.12 -3.02 115.64 114.72 2ju3 s THR 93 Ca 0.08 0.24 -0.11 0.00 -1.21 0.00 0.00 61.69 60.69 2ju3 s THR 93 Cb -0.11 -0.37 -0.05 0.00 -1.51 0.00 0.00 72.50 70.46 2ju3 s THR 93 CO 0.01 0.22 0.19 -0.89 -2.21 0.00 0.00 174.62 171.95 2ju3 s THR 94 N 2.00 5.35 -0.11 5.08 2.01 -1.26 -1.15 115.64 127.55 2ju3 s THR 94 Ca 0.04 0.28 -0.19 0.00 0.31 0.00 0.00 61.69 62.14 2ju3 s THR 94 Cb -0.12 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.90 2ju3 s THR 94 CO -0.04 0.37 0.46 0.72 -0.69 0.00 0.00 174.62 175.44 2ju3 s PHE 95 N 0.83 -0.45 -1.41 4.92 -0.71 0.15 -4.63 117.98 116.68 2ju3 s PHE 95 Ca 0.10 0.96 0.00 0.00 -1.04 0.00 0.00 56.93 56.95 2ju3 s PHE 95 Cb -0.13 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 2ju3 s PHE 95 CO 0.03 -0.35 0.00 1.63 -1.34 0.00 0.00 175.22 175.19 2ju3 n LYS 96 N 2.05 -1.74 0.00 1.99 5.02 -1.26 -0.41 118.16 123.81 2ju3 n LYS 96 Ca -0.17 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2ju3 n LYS 96 Cb 0.57 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 2ju3 n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju3 n GLY 97 N -0.61 2.66 3.90 0.72 0.00 -1.26 -5.04 105.19 105.56 2ju3 n GLY 97 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2ju3 n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ju3 s ILE 98 N -2.32 5.28 -0.15 -0.61 -5.25 0.45 -4.76 121.20 113.83 2ju3 s ILE 98 Ca 0.00 -0.02 -0.04 0.00 -0.99 0.00 0.00 60.65 59.59 2ju3 s ILE 98 Cb 0.00 -3.60 -0.03 0.00 2.95 0.00 0.00 42.46 41.78 2ju3 s ILE 98 CO 0.00 0.20 0.00 -0.54 -1.79 0.00 0.00 174.94 172.81 2ju3 s LYS 99 N -2.26 3.62 -0.10 0.37 3.01 -0.15 0.34 119.74 124.57 2ju3 s LYS 99 Ca 0.34 -0.44 -0.01 0.00 -1.01 0.00 0.00 55.97 54.85 2ju3 s LYS 99 Cb -0.13 -2.98 0.03 0.00 -1.01 0.00 0.00 37.83 33.74 2ju3 s LYS 99 CO 0.22 0.35 -0.06 0.45 0.51 0.00 0.00 175.35 176.83 2ju3 s SER 100 N 0.09 1.98 -0.11 2.83 0.15 -0.30 0.79 113.70 119.13 2ju3 s SER 100 Ca 0.02 -0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 2ju3 s SER 100 Cb -0.13 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.42 2ju3 s SER 100 CO 0.02 -0.13 0.04 0.54 1.20 0.00 0.00 173.24 174.91 2ju3 s VAL 101 N 1.73 4.64 -0.03 4.45 0.11 0.27 0.13 120.40 131.70 2ju3 s VAL 101 Ca 0.04 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 2ju3 s VAL 101 Cb -0.13 -2.99 -0.01 0.00 -1.53 0.00 0.00 36.38 31.72 2ju3 s VAL 101 CO -0.07 0.59 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.16 2ju3 s THR 102 N -0.70 1.86 -0.03 5.04 2.01 -0.17 0.37 115.64 124.02 2ju3 s THR 102 Ca 0.12 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.16 2ju3 s THR 102 Cb -0.12 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 2ju3 s THR 102 CO 0.02 0.52 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.65 2ju3 s GLU 103 N -0.37 1.38 -0.37 4.92 2.12 0.28 -2.28 118.70 124.38 2ju3 s GLU 103 Ca 0.04 -0.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.83 2ju3 s GLU 103 Cb -0.11 -1.23 0.06 0.00 0.26 0.00 0.00 34.13 33.11 2ju3 s GLU 103 CO 0.01 0.19 0.15 0.12 -0.54 0.00 0.00 175.26 175.19 2ju3 s PHE 104 N 0.08 3.32 -0.44 5.30 2.19 -1.17 0.67 117.98 127.94 2ju3 s PHE 104 Ca -0.03 -1.59 -0.04 0.00 0.33 0.00 0.00 56.93 55.60 2ju3 s PHE 104 Cb -0.10 -2.56 0.12 0.00 -1.31 0.00 0.00 43.02 39.16 2ju3 s PHE 104 CO 0.01 -0.79 0.25 1.21 1.83 0.00 0.00 175.22 177.73 2ju3 s ASN 105 N 1.64 5.34 1.59 6.13 2.47 0.22 -4.71 114.94 127.61 2ju3 s ASN 105 Ca 0.01 -2.07 0.00 0.00 0.42 0.00 0.00 52.86 51.21 2ju3 s ASN 105 Cb -0.21 -1.87 0.00 0.00 -1.45 0.00 0.00 41.25 37.73 2ju3 s ASN 105 CO 0.02 -0.56 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 2ju3 n GLY 106 N 4.57 0.91 0.54 1.21 0.00 -1.26 0.04 105.19 111.20 2ju3 n GLY 106 Ca -0.02 0.49 0.06 0.00 0.00 0.00 0.00 46.02 46.55 2ju3 n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ju3 n ASP 107 N 10.38 2.27 -4.71 1.61 5.68 -1.26 -4.99 116.55 125.53 2ju3 n ASP 107 Ca 0.00 -1.63 -0.24 0.00 -0.50 0.00 0.00 54.79 52.42 2ju3 n ASP 107 Cb 0.00 -0.06 -0.06 0.00 -1.14 0.00 0.00 41.12 39.85 2ju3 n ASP 107 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2ju3 s THR 108 N -1.01 3.88 -0.02 2.12 -4.23 0.11 -1.81 115.64 114.68 2ju3 s THR 108 Ca 0.17 -1.57 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 2ju3 s THR 108 Cb 0.11 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 2ju3 s THR 108 CO 0.16 -0.27 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.10 2ju3 s ILE 109 N -2.06 2.33 -0.26 2.99 1.01 0.19 -0.61 121.20 124.79 2ju3 s ILE 109 Ca 0.31 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2ju3 s ILE 109 Cb -0.08 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.59 2ju3 s ILE 109 CO 0.21 0.54 -0.10 0.42 0.00 0.00 0.00 174.94 176.02 2ju3 s THR 110 N -0.68 2.32 -0.27 2.92 -4.23 0.21 0.12 115.64 116.03 2ju3 s THR 110 Ca 0.11 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 58.99 2ju3 s THR 110 Cb -0.10 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 2ju3 s THR 110 CO 0.00 0.00 0.16 0.21 -0.54 0.00 0.00 174.62 174.46 2ju3 s ASN 111 N 1.15 5.84 -0.26 3.99 3.04 0.41 1.00 114.94 130.09 2ju3 s ASN 111 Ca -0.07 -0.04 0.00 0.00 0.04 0.00 0.00 52.86 52.79 2ju3 s ASN 111 Cb -0.19 -2.08 0.05 0.00 -1.54 0.00 0.00 41.25 37.49 2ju3 s ASN 111 CO -0.05 -0.03 -0.07 -0.89 -3.04 0.00 0.00 177.10 173.02 2ju3 s THR 112 N 1.65 2.59 -0.08 -5.21 2.01 0.16 -0.22 115.64 116.54 2ju3 s THR 112 Ca 0.07 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 2ju3 s THR 112 Cb -0.16 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2ju3 s THR 112 CO 0.09 0.04 0.11 -0.32 -0.69 0.00 0.00 174.62 173.85 2ju3 s MET 113 N 1.22 3.28 -0.20 4.92 0.00 0.47 0.97 119.30 129.96 2ju3 s MET 113 Ca -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 55.69 55.37 2ju3 s MET 113 Cb -0.19 -3.04 0.05 0.00 0.00 0.00 0.00 34.83 31.65 2ju3 s MET 113 CO -0.04 0.73 -0.06 0.99 0.00 0.00 0.00 175.02 176.64 2ju3 s THR 114 N -1.07 1.31 -0.39 10.11 2.01 0.24 0.74 115.64 128.59 2ju3 s THR 114 Ca 0.18 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 2ju3 s THR 114 Cb -0.12 -1.52 0.07 0.00 0.01 0.00 0.00 72.50 70.93 2ju3 s THR 114 CO 0.08 0.04 0.19 -0.22 -0.69 0.00 0.00 174.62 174.02 2ju3 s LEU 115 N 1.52 4.84 0.00 4.42 0.20 0.10 -0.98 118.68 128.79 2ju3 s LEU 115 Ca -0.02 -1.40 0.00 0.00 0.69 0.00 0.00 54.13 53.40 2ju3 s LEU 115 Cb -0.17 -1.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.66 2ju3 s LEU 115 CO -0.07 -0.45 0.00 0.61 -0.29 0.00 0.00 176.35 176.14 2ju3 n GLY 116 N 4.85 0.52 0.11 7.98 0.00 -1.26 -0.01 105.19 117.37 2ju3 n GLY 116 Ca -0.10 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2ju3 n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju3 n ASP 117 N 2.70 0.94 -4.73 1.61 -0.08 -1.26 -4.93 116.55 110.80 2ju3 n ASP 117 Ca 0.00 0.13 -0.41 0.00 -1.51 0.00 0.00 54.79 52.99 2ju3 n ASP 117 Cb 0.00 0.15 -0.04 0.00 2.34 0.00 0.00 41.12 43.57 2ju3 n ASP 117 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2ju3 s ILE 118 N -2.54 4.30 -0.02 5.18 -4.36 0.99 -5.04 121.20 119.70 2ju3 s ILE 118 Ca -0.15 1.89 0.03 0.00 -0.26 0.00 0.00 60.65 62.16 2ju3 s ILE 118 Cb 0.07 -4.21 -0.03 0.00 1.25 0.00 0.00 42.46 39.54 2ju3 s ILE 118 CO 0.78 0.28 -0.08 0.54 0.24 0.00 0.00 174.94 176.69 2ju3 s VAL 119 N 0.07 3.55 -0.03 8.37 0.11 -1.26 0.01 120.40 131.22 2ju3 s VAL 119 Ca 0.49 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.88 2ju3 s VAL 119 Cb -0.25 -2.49 -0.00 0.00 -1.53 0.00 0.00 36.38 32.10 2ju3 s VAL 119 CO 0.31 0.48 -0.14 -0.47 -3.33 0.00 0.00 175.10 171.95 2ju3 s TYR 120 N -0.90 1.33 -0.01 1.54 5.04 0.23 -4.72 117.35 119.85 2ju3 s TYR 120 Ca 0.15 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.47 2ju3 s TYR 120 Cb -0.11 -0.89 -0.00 0.00 0.35 0.00 0.00 41.96 41.30 2ju3 s TYR 120 CO 0.05 -0.09 -0.05 0.21 -1.34 0.00 0.00 175.55 174.32 2ju3 s LYS 121 N -0.05 0.47 0.02 4.97 2.36 -1.09 0.18 119.74 126.59 2ju3 s LYS 121 Ca -0.00 -0.19 0.01 0.00 -2.55 0.00 0.00 55.97 53.24 2ju3 s LYS 121 Cb -0.08 -0.46 -0.01 0.00 -1.05 0.00 0.00 37.83 36.22 2ju3 s LYS 121 CO 0.01 0.10 -0.05 1.03 1.55 0.00 0.00 175.35 177.99 2ju3 s ARG 122 N -0.04 0.35 -0.20 4.03 0.52 0.69 0.70 118.95 125.00 2ju3 s ARG 122 Ca 0.01 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 2ju3 s ARG 122 Cb -0.03 -0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.29 2ju3 s ARG 122 CO -0.00 0.03 -0.15 0.08 0.02 0.00 0.00 175.30 175.28 2ju3 s VAL 123 N -0.82 2.36 0.14 3.52 1.01 0.49 0.16 120.40 127.25 2ju3 s VAL 123 Ca -0.06 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 2ju3 s VAL 123 Cb -0.06 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2ju3 s VAL 123 CO -0.00 0.43 0.30 -0.44 0.00 0.00 0.00 175.10 175.39 2ju3 s SER 124 N 1.30 6.38 0.02 3.32 0.01 0.32 0.12 113.70 125.17 2ju3 s SER 124 Ca 0.03 0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.66 2ju3 s SER 124 Cb -0.14 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 2ju3 s SER 124 CO -0.10 0.06 -0.14 -0.75 0.41 0.00 0.00 173.24 172.72 2ju3 s LYS 125 N -2.97 1.01 0.14 12.44 2.47 0.11 0.57 119.74 133.50 2ju3 s LYS 125 Ca 0.37 -0.64 -0.31 0.00 -1.56 0.00 0.00 55.97 53.83 2ju3 s LYS 125 Cb -0.12 -1.00 -0.09 0.00 -1.46 0.00 0.00 37.83 35.16 2ju3 s LYS 125 CO 0.28 0.26 1.47 1.03 0.16 0.00 0.00 175.35 178.55 2ju3 s ARG 126 N -0.77 4.27 0.00 4.03 0.52 -0.75 0.14 118.95 126.39 2ju3 s ARG 126 Ca 0.03 2.20 0.25 0.00 -0.52 0.00 0.00 55.73 57.70 2ju3 s ARG 126 Cb -0.07 -3.20 0.50 0.00 0.52 0.00 0.00 34.95 32.70 2ju3 s ARG 126 CO 0.00 -0.51 1.43 0.44 0.02 0.00 0.00 175.30 176.69