#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 6.49 0.00 3.17 4.22 -1.26 -4.80 114.94 122.76 2ju3 s ASN 2 Ca 0.00 0.19 0.00 0.00 -2.14 0.00 0.00 52.86 50.91 2ju3 s ASN 2 Cb 0.00 -2.38 0.00 0.00 1.28 0.00 0.00 41.25 40.15 2ju3 s ASN 2 CO 0.00 -0.75 0.00 0.49 -2.04 0.00 0.00 177.10 174.80 2ju3 n PHE 3 N 6.40 0.00 -2.28 1.54 3.01 -1.26 -5.13 117.46 119.74 2ju3 n PHE 3 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2ju3 n PHE 3 Cb 0.48 0.19 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 2ju3 n PHE 3 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2ju3 n SER 4 N -2.25 -8.97 0.00 4.37 3.41 -1.23 -5.01 113.62 103.93 2ju3 n SER 4 Ca 0.00 1.73 0.00 0.00 -0.26 0.00 0.00 58.87 60.34 2ju3 n SER 4 Cb 0.15 -5.03 0.00 0.00 -0.26 0.00 0.00 64.21 59.07 2ju3 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ju3 n GLY 5 N 1.89 -1.10 3.83 5.00 0.00 0.15 -4.92 105.19 110.05 2ju3 n GLY 5 Ca 0.00 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.25 3.88 -0.15 1.61 2.47 -1.26 0.32 119.74 125.35 2ju3 s LYS 6 Ca 0.00 0.28 -0.01 0.00 -1.56 0.00 0.00 55.97 54.68 2ju3 s LYS 6 Cb 0.00 -3.24 0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2ju3 s LYS 6 CO 0.00 0.64 -0.02 0.71 0.16 0.00 0.00 175.35 176.84 2ju3 s TYR 7 N -0.84 1.35 -0.20 4.03 1.51 0.50 -2.89 117.35 120.81 2ju3 s TYR 7 Ca 0.21 -0.85 -0.10 0.00 -1.01 0.00 0.00 57.07 55.32 2ju3 s TYR 7 Cb -0.15 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 2ju3 s TYR 7 CO 0.10 -0.56 0.15 1.14 -1.11 0.00 0.00 175.55 175.28 2ju3 s GLN 8 N 1.75 4.17 0.34 -0.62 -2.07 0.15 -0.27 119.66 123.11 2ju3 s GLN 8 Ca 0.01 -0.20 -0.29 0.00 -1.82 0.00 0.00 55.36 53.06 2ju3 s GLN 8 Cb -0.15 -3.44 -0.11 0.00 -1.09 0.00 0.00 33.01 28.22 2ju3 s GLN 8 CO -0.07 0.25 1.47 0.08 -1.32 0.00 0.00 175.29 175.70 2ju3 s VAL 9 N 0.49 2.24 0.03 3.63 1.01 -0.91 0.52 120.40 127.42 2ju3 s VAL 9 Ca 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 2ju3 s VAL 9 Cb -0.12 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2ju3 s VAL 9 CO -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 175.10 175.09 2ju3 n GLN 10 N 1.05 0.09 -3.70 2.72 10.64 0.20 -4.67 117.38 123.70 2ju3 n GLN 10 Ca 0.03 0.04 -0.27 0.00 -1.83 0.00 0.00 57.00 54.96 2ju3 n GLN 10 Cb 0.39 -0.58 -0.03 0.00 -0.86 0.00 0.00 30.24 29.17 2ju3 n GLN 10 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2ju3 s SER 11 N -5.74 6.38 0.06 2.61 0.01 -0.72 -4.92 113.70 111.38 2ju3 s SER 11 Ca -0.05 0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 2ju3 s SER 11 Cb 0.01 -2.00 0.03 0.00 0.21 0.00 0.00 66.02 64.26 2ju3 s SER 11 CO 0.07 -0.05 0.34 -1.10 0.41 0.00 0.00 173.24 172.92 2ju3 s GLN 12 N -3.38 0.89 0.09 12.44 1.11 -1.26 0.17 119.66 129.72 2ju3 s GLN 12 Ca 0.38 -0.54 0.05 0.00 0.01 0.00 0.00 55.36 55.26 2ju3 s GLN 12 Cb -0.11 0.39 -0.03 0.00 -1.01 0.00 0.00 33.01 32.25 2ju3 s GLN 12 CO 0.29 -0.31 -0.13 -1.21 0.01 0.00 0.00 175.29 173.95 2ju3 s GLU 13 N -2.89 0.87 -1.61 2.91 0.41 0.20 -4.85 118.70 113.73 2ju3 s GLU 13 Ca -0.03 -1.07 -0.15 0.00 -0.41 0.00 0.00 54.97 53.31 2ju3 s GLU 13 Cb 0.00 -0.76 0.12 0.00 -1.78 0.00 0.00 34.13 31.71 2ju3 s GLU 13 CO -0.05 0.15 0.85 0.09 -0.49 0.00 0.00 175.26 175.80 2ju3 n ASN 14 N 0.93 -3.70 -0.01 -0.19 4.13 -1.26 -0.26 115.26 114.90 2ju3 n ASN 14 Ca -0.19 -0.92 -0.06 0.00 1.68 0.00 0.00 54.58 55.10 2ju3 n ASN 14 Cb 0.56 -3.25 0.13 0.00 -1.54 0.00 0.00 39.78 35.68 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 -1.76 0.65 0.69 3.10 3.04 -1.87 -3.25 116.94 117.53 2ju3 h PHE 15 Ca -0.59 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 61.16 2ju3 h PHE 15 Cb 1.38 -0.15 0.01 0.00 2.56 0.00 0.00 35.95 39.75 2ju3 h PHE 15 CO 0.60 0.83 -0.33 0.93 -2.02 0.00 0.00 178.31 178.32 2ju3 h GLU 16 N 0.47 -0.89 -0.91 1.11 5.08 -1.88 -1.05 114.58 116.50 2ju3 h GLU 16 Ca 0.05 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 2ju3 h GLU 16 Cb 0.83 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 30.20 2ju3 h GLU 16 CO 0.07 -0.58 0.55 -1.00 -1.00 0.00 0.00 179.01 177.05 2ju3 h PRO 17 N -0.97 0.88 0.12 2.33 0.13 -1.90 1.53 132.00 134.12 2ju3 h PRO 17 Ca -0.09 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2ju3 h PRO 17 Cb 0.72 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2ju3 h PRO 17 CO 0.16 0.59 -0.06 0.35 -0.23 0.00 0.00 178.00 178.80 2ju3 h PHE 18 N 0.91 -0.15 -0.07 1.56 3.57 -1.56 -0.26 116.94 120.93 2ju3 h PHE 18 Ca 0.44 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.82 2ju3 h PHE 18 Cb 0.40 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2ju3 h PHE 18 CO -0.03 0.15 -0.49 0.52 -2.23 0.00 0.00 178.31 176.23 2ju3 h MET 19 N -0.45 0.19 -0.17 1.11 2.86 -0.59 -0.41 114.93 117.47 2ju3 h MET 19 Ca -0.02 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2ju3 h MET 19 Cb 0.37 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2ju3 h MET 19 CO 0.03 0.64 0.11 0.87 1.06 0.00 0.00 176.91 179.62 2ju3 h LYS 20 N 0.15 0.22 0.00 1.72 1.57 0.23 0.60 116.57 121.06 2ju3 h LYS 20 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ju3 h LYS 20 Cb 0.93 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2ju3 h LYS 20 CO 0.07 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 2ju3 h ALA 21 N 1.06 1.00 -0.00 3.86 0.00 -0.91 0.13 119.26 124.41 2ju3 h ALA 21 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ju3 h ALA 21 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ju3 h ALA 21 CO -0.02 0.00 -0.01 -1.33 0.00 0.00 0.00 179.25 177.90 2ju3 n MET 22 N -2.79 0.24 0.00 0.00 2.81 -0.13 -4.88 117.12 112.36 2ju3 n MET 22 Ca 0.02 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2ju3 n MET 22 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 1.38 1.11 3.72 3.03 0.00 0.45 -5.02 105.19 109.87 2ju3 n GLY 23 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 4.31 0.55 0.99 2.96 0.19 -4.96 118.68 122.72 2ju3 s LEU 24 Ca 0.00 0.99 -0.19 0.00 -0.22 0.00 0.00 54.13 54.71 2ju3 s LEU 24 Cb 0.00 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 2ju3 s LEU 24 CO 0.00 -0.03 1.13 -2.16 -1.32 0.00 0.00 176.35 173.96 2ju3 s PRO 25 N 0.60 3.32 0.40 0.98 0.04 -1.26 -4.00 135.00 135.07 2ju3 s PRO 25 Ca 0.31 1.59 0.14 0.00 0.04 0.00 0.00 61.00 63.08 2ju3 s PRO 25 Cb -0.16 -2.00 0.99 0.00 0.04 0.00 0.00 34.50 33.36 2ju3 s PRO 25 CO 0.14 -0.88 1.86 1.49 0.04 0.00 0.00 177.00 179.65 2ju3 h GLU 26 N 1.11 0.49 -0.11 4.56 4.81 -1.96 0.98 114.58 124.45 2ju3 h GLU 26 Ca -0.50 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2ju3 h GLU 26 Cb 1.26 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2ju3 h GLU 26 CO 0.57 0.32 0.02 0.22 -0.73 0.00 0.00 179.01 179.42 2ju3 h ASP 27 N 0.50 0.17 0.52 1.04 3.58 -1.99 0.62 116.42 120.86 2ju3 h ASP 27 Ca 0.46 -0.24 -0.13 0.00 0.42 0.00 0.00 57.03 57.54 2ju3 h ASP 27 Cb 1.00 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 2ju3 h ASP 27 CO -0.19 0.37 -0.59 -0.07 -2.88 0.00 0.00 179.24 175.87 2ju3 h LEU 28 N -0.03 0.08 -0.13 2.28 3.38 -1.36 -1.76 115.31 117.77 2ju3 h LEU 28 Ca 0.03 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2ju3 h LEU 28 Cb 0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2ju3 h LEU 28 CO 0.00 0.66 0.02 0.40 0.09 0.00 0.00 178.44 179.60 2ju3 h ILE 29 N 0.06 0.93 -0.09 1.22 1.08 0.11 0.54 117.51 121.37 2ju3 h ILE 29 Ca -0.01 -0.02 -0.11 0.00 -0.39 0.00 0.00 64.86 64.33 2ju3 h ILE 29 Cb 1.06 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 2ju3 h ILE 29 CO 0.08 0.01 -0.44 1.56 -0.69 0.00 0.00 178.15 178.67 2ju3 h GLN 30 N 0.07 0.20 0.01 2.37 4.20 -0.67 0.18 115.11 121.47 2ju3 h GLN 30 Ca 0.06 -0.10 -0.22 0.00 0.06 0.00 0.00 58.65 58.45 2ju3 h GLN 30 Cb 0.06 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.85 2ju3 h GLN 30 CO -0.08 0.61 -0.87 0.87 -0.67 0.00 0.00 178.83 178.69 2ju3 h LYS 31 N 0.16 0.57 0.00 1.46 1.57 -0.99 -2.89 116.57 116.46 2ju3 h LYS 31 Ca 0.01 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2ju3 h LYS 31 Cb 0.85 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2ju3 h LYS 31 CO 0.07 1.24 0.00 0.78 -0.57 0.00 0.00 179.45 180.96 2ju3 h GLY 32 N 0.16 0.00 2.00 3.86 0.00 0.12 -3.17 103.07 106.04 2ju3 h GLY 32 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2ju3 h GLY 32 CO 0.17 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.88 2ju3 n LYS 33 N -3.03 0.11 0.02 4.80 4.81 0.64 -1.08 118.16 124.43 2ju3 n LYS 33 Ca 0.02 0.46 0.11 0.00 -0.87 0.00 0.00 58.31 58.03 2ju3 n LYS 33 Cb 0.37 -1.75 0.11 0.00 0.02 0.00 0.00 35.03 33.77 2ju3 n LYS 33 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2ju3 n ASP 34 N -1.96 0.63 -4.75 3.14 2.03 -1.20 -4.91 116.55 109.54 2ju3 n ASP 34 Ca 0.01 -0.28 -0.40 0.00 0.52 0.00 0.00 54.79 54.63 2ju3 n ASP 34 Cb 0.13 0.54 -0.05 0.00 -0.72 0.00 0.00 41.12 41.01 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 -3.10 4.26 0.00 5.18 1.09 -0.24 -4.95 121.20 123.45 2ju3 s ILE 35 Ca 0.07 2.03 0.00 0.00 -1.10 0.00 0.00 60.65 61.65 2ju3 s ILE 35 Cb 0.16 -4.30 0.00 0.00 -1.06 0.00 0.00 42.46 37.25 2ju3 s ILE 35 CO 0.76 0.44 0.00 0.29 -0.10 0.00 0.00 174.94 176.33 2ju3 n LYS 36 N 1.96 0.00 0.00 2.79 4.01 -1.26 -4.91 118.16 120.76 2ju3 n LYS 36 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2ju3 n LYS 36 Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 2ju3 n LYS 36 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ju3 n GLY 37 N 2.08 2.33 3.61 0.72 0.00 -1.25 -3.15 105.19 109.53 2ju3 n GLY 37 Ca 0.00 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.10 4.64 0.12 1.61 1.01 -1.24 -2.13 120.40 122.30 2ju3 s VAL 38 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2ju3 s VAL 38 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2ju3 s VAL 38 CO 0.00 0.46 -0.21 -0.44 0.00 0.00 0.00 175.10 174.91 2ju3 s SER 39 N 0.41 3.71 -0.11 3.32 0.01 0.63 -0.69 113.70 120.97 2ju3 s SER 39 Ca 0.02 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2ju3 s SER 39 Cb -0.13 -0.45 0.02 0.00 0.21 0.00 0.00 66.02 65.67 2ju3 s SER 39 CO 0.01 0.18 -0.14 -0.70 0.41 0.00 0.00 173.24 173.00 2ju3 s GLU 40 N -2.06 2.12 -0.23 12.44 2.12 0.30 0.19 118.70 133.58 2ju3 s GLU 40 Ca 0.17 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2ju3 s GLU 40 Cb -0.10 -1.85 0.04 0.00 0.26 0.00 0.00 34.13 32.47 2ju3 s GLU 40 CO 0.09 -0.10 -0.14 0.42 -0.54 0.00 0.00 175.26 174.99 2ju3 s ILE 41 N 1.10 2.23 -0.04 -3.70 -1.09 0.15 -1.42 121.20 118.43 2ju3 s ILE 41 Ca -0.04 -1.26 0.04 0.00 -2.23 0.00 0.00 60.65 57.16 2ju3 s ILE 41 Cb -0.14 -2.14 -0.00 0.00 -1.58 0.00 0.00 42.46 38.60 2ju3 s ILE 41 CO -0.03 0.24 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.08 2ju3 s VAL 42 N 1.21 1.27 -0.13 2.92 1.01 -0.84 0.33 120.40 126.17 2ju3 s VAL 42 Ca -0.02 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2ju3 s VAL 42 Cb -0.17 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2ju3 s VAL 42 CO -0.08 0.37 -0.19 -2.28 0.00 0.00 0.00 175.10 172.92 2ju3 s HIS 43 N 0.14 2.43 -0.32 5.22 5.04 -1.26 0.17 115.29 126.70 2ju3 s HIS 43 Ca -0.05 -1.22 0.03 0.00 -1.54 0.00 0.00 55.06 52.28 2ju3 s HIS 43 Cb -0.11 -1.68 0.09 0.00 0.04 0.00 0.00 32.58 30.91 2ju3 s HIS 43 CO 0.02 -0.58 0.01 -2.00 -2.34 0.00 0.00 174.74 169.85 2ju3 s GLU 44 N 0.92 1.80 4.04 2.88 2.56 0.18 -4.97 118.70 126.10 2ju3 s GLU 44 Ca -0.06 -1.68 0.00 0.00 0.00 0.00 0.00 54.97 53.23 2ju3 s GLU 44 Cb -0.15 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.84 2ju3 s GLU 44 CO -0.03 -0.82 0.00 0.41 -0.56 0.00 0.00 175.26 174.26 2ju3 n GLY 45 N 4.35 0.50 0.12 -1.50 0.00 -1.26 -0.98 105.19 106.42 2ju3 n GLY 45 Ca -0.03 0.62 -0.23 0.00 0.00 0.00 0.00 46.02 46.38 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 0.63 -2.40 1.61 4.01 -1.26 -4.94 118.16 115.81 2ju3 n LYS 46 Ca 0.00 0.38 -0.42 0.00 -0.51 0.00 0.00 58.31 57.76 2ju3 n LYS 46 Cb 0.00 -1.65 -0.03 0.00 -0.51 0.00 0.00 35.03 32.84 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 -2.46 4.44 -0.05 1.97 1.02 -0.15 -1.72 119.74 122.80 2ju3 s LYS 47 Ca -0.30 1.81 0.06 0.00 0.02 0.00 0.00 55.97 57.55 2ju3 s LYS 47 Cb 0.09 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2ju3 s LYS 47 CO 0.61 -0.22 -0.23 0.08 -0.92 0.00 0.00 175.35 174.67 2ju3 s VAL 48 N 0.81 1.89 -0.13 3.17 1.01 0.16 0.48 120.40 127.80 2ju3 s VAL 48 Ca 0.58 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 2ju3 s VAL 48 Cb -0.30 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2ju3 s VAL 48 CO 0.31 0.53 0.65 -0.54 0.00 0.00 0.00 175.10 176.05 2ju3 s LYS 49 N -0.19 4.34 -0.22 2.72 1.02 0.45 -1.48 119.74 126.37 2ju3 s LYS 49 Ca -0.02 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.71 2ju3 s LYS 49 Cb -0.13 -3.50 0.06 0.00 -0.52 0.00 0.00 37.83 33.74 2ju3 s LYS 49 CO 0.03 -0.05 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.85 2ju3 s LEU 50 N 1.24 2.22 -0.28 3.17 1.02 0.44 -1.99 118.68 124.51 2ju3 s LEU 50 Ca 0.33 -1.05 -0.05 0.00 0.02 0.00 0.00 54.13 53.38 2ju3 s LEU 50 Cb -0.17 -1.06 0.01 0.00 0.02 0.00 0.00 46.19 45.00 2ju3 s LEU 50 CO 0.14 -0.24 0.03 -0.89 0.02 0.00 0.00 176.35 175.41 2ju3 s THR 51 N 1.50 3.61 -0.11 5.49 2.01 -0.51 -0.22 115.64 127.41 2ju3 s THR 51 Ca -0.04 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2ju3 s THR 51 Cb -0.18 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.51 2ju3 s THR 51 CO -0.07 0.14 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.28 2ju3 s ILE 52 N 1.45 1.12 -0.15 1.82 1.09 0.13 0.11 121.20 126.76 2ju3 s ILE 52 Ca 0.02 -0.37 -0.20 0.00 -1.10 0.00 0.00 60.65 59.00 2ju3 s ILE 52 Cb -0.17 -1.10 -0.03 0.00 -1.06 0.00 0.00 42.46 40.10 2ju3 s ILE 52 CO 0.00 0.38 0.57 -0.89 -0.10 0.00 0.00 174.94 174.90 2ju3 s THR 53 N 1.45 5.10 -0.50 2.92 2.01 0.13 0.30 115.64 127.06 2ju3 s THR 53 Ca 0.01 1.11 -0.05 0.00 0.31 0.00 0.00 61.69 63.06 2ju3 s THR 53 Cb -0.13 -3.90 0.13 0.00 0.01 0.00 0.00 72.50 68.61 2ju3 s THR 53 CO -0.06 0.22 0.33 -0.31 -0.69 0.00 0.00 174.62 174.11 2ju3 s TYR 54 N 1.22 3.51 0.00 4.92 2.02 0.14 -3.70 117.35 125.46 2ju3 s TYR 54 Ca 0.28 -2.30 0.00 0.00 -0.37 0.00 0.00 57.07 54.69 2ju3 s TYR 54 Cb -0.16 -3.33 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 2ju3 s TYR 54 CO 0.12 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.55 2ju3 n GLY 55 N 4.41 1.15 0.43 0.71 0.00 -1.19 -2.86 105.19 107.84 2ju3 n GLY 55 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.66 0.00 -4.84 1.61 3.41 -1.26 -4.90 113.62 110.30 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 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.21 4.00 -0.14 4.33 2.47 -1.14 -5.04 119.74 123.00 2ju3 s LYS 57 Ca 0.00 0.83 0.02 0.00 -1.56 0.00 0.00 55.97 55.26 2ju3 s LYS 57 Cb 0.00 -2.26 0.02 0.00 -1.46 0.00 0.00 37.83 34.12 2ju3 s LYS 57 CO 0.00 -0.07 -0.18 0.08 0.16 0.00 0.00 175.35 175.34 2ju3 s VAL 58 N -2.32 1.79 -0.26 4.02 1.01 -1.26 0.24 120.40 123.61 2ju3 s VAL 58 Ca 0.57 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2ju3 s VAL 58 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2ju3 s VAL 58 CO 0.24 0.50 0.13 -0.63 0.00 0.00 0.00 175.10 175.33 2ju3 s ILE 59 N 1.07 4.86 -0.19 2.22 1.01 0.15 -4.93 121.20 125.40 2ju3 s ILE 59 Ca -0.03 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2ju3 s ILE 59 Cb -0.14 -3.29 0.02 0.00 0.01 0.00 0.00 42.46 39.06 2ju3 s ILE 59 CO -0.05 0.31 -0.19 -2.28 0.00 0.00 0.00 174.94 172.73 2ju3 s HIS 60 N 1.54 2.80 -0.11 3.97 2.46 -1.26 0.17 115.29 124.87 2ju3 s HIS 60 Ca 0.06 -1.61 -0.08 0.00 0.47 0.00 0.00 55.06 53.90 2ju3 s HIS 60 Cb -0.15 -1.93 0.03 0.00 -0.13 0.00 0.00 32.58 30.40 2ju3 s HIS 60 CO 0.07 -0.79 0.28 -0.80 -2.47 0.00 0.00 174.74 171.02 2ju3 s ASN 61 N 1.30 -0.30 -0.05 9.88 0.01 0.69 -4.83 114.94 121.64 2ju3 s ASN 61 Ca 0.05 0.57 -0.03 0.00 -0.71 0.00 0.00 52.86 52.74 2ju3 s ASN 61 Cb -0.13 0.54 -0.04 0.00 0.41 0.00 0.00 41.25 42.03 2ju3 s ASN 61 CO -0.12 -0.12 0.11 -1.61 -1.51 0.00 0.00 177.10 173.85 2ju3 s GLU 62 N 0.52 3.23 0.01 -0.60 8.01 -1.26 -0.42 118.70 128.19 2ju3 s GLU 62 Ca -0.03 -0.35 0.00 0.00 0.01 0.00 0.00 54.97 54.60 2ju3 s GLU 62 Cb -0.05 -2.99 -0.01 0.00 -4.31 0.00 0.00 34.13 26.78 2ju3 s GLU 62 CO -0.03 0.69 -0.02 -0.59 0.01 0.00 0.00 175.26 175.33 2ju3 s PHE 63 N -1.14 0.17 -0.19 1.61 -0.12 -0.55 -4.76 117.98 113.00 2ju3 s PHE 63 Ca 0.21 -0.22 -0.11 0.00 -0.05 0.00 0.00 56.93 56.75 2ju3 s PHE 63 Cb -0.12 -0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.11 2ju3 s PHE 63 CO 0.11 -0.07 0.19 0.99 -0.05 0.00 0.00 175.22 176.39 2ju3 s THR 64 N -0.60 5.37 0.04 -4.49 2.01 -1.26 0.41 115.64 117.12 2ju3 s THR 64 Ca -0.06 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 2ju3 s THR 64 Cb -0.04 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 2ju3 s THR 64 CO -0.00 0.42 1.79 -0.76 -0.69 0.00 0.00 174.62 175.37 2ju3 s LEU 65 N 0.43 4.38 0.00 4.42 2.01 -0.70 -1.90 118.68 127.33 2ju3 s LEU 65 Ca 0.11 2.54 0.00 0.00 0.01 0.00 0.00 54.13 56.79 2ju3 s LEU 65 Cb -0.12 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.54 2ju3 s LEU 65 CO 0.00 -0.97 0.00 0.61 1.01 0.00 0.00 176.35 177.00 2ju3 n GLY 66 N 4.24 0.84 3.25 -3.19 0.00 0.11 -4.88 105.19 105.55 2ju3 n GLY 66 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.02 1.52 -0.30 1.61 2.56 -0.80 -4.93 118.70 118.35 2ju3 s GLU 67 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 54.97 53.80 2ju3 s GLU 67 Cb 0.00 -1.58 -0.01 0.00 2.00 0.00 0.00 34.13 34.54 2ju3 s GLU 67 CO 0.00 0.42 1.60 -2.00 -0.56 0.00 0.00 175.26 174.72 2ju3 s GLU 68 N -0.93 3.62 0.06 4.30 2.12 -1.26 -3.93 118.70 122.68 2ju3 s GLU 68 Ca 0.08 1.40 0.03 0.00 0.36 0.00 0.00 54.97 56.84 2ju3 s GLU 68 Cb -0.09 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.21 2ju3 s GLU 68 CO 0.01 -1.51 -0.09 0.00 -0.54 0.00 0.00 175.26 173.13 2ju3 s GLU 70 N -2.05 4.05 -0.28 0.00 8.01 -1.26 0.86 118.70 128.03 2ju3 s GLU 70 Ca -0.04 0.55 -0.08 0.00 0.01 0.00 0.00 54.97 55.41 2ju3 s GLU 70 Cb -0.07 -3.24 -0.01 0.00 -4.31 0.00 0.00 34.13 26.50 2ju3 s GLU 70 CO -0.00 0.64 0.10 -0.51 0.01 0.00 0.00 175.26 175.50 2ju3 s LEU 71 N -1.01 3.72 -0.24 1.80 2.01 0.20 -4.82 118.68 120.34 2ju3 s LEU 71 Ca 0.26 -0.42 -0.15 0.00 0.01 0.00 0.00 54.13 53.83 2ju3 s LEU 71 Cb -0.18 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 2ju3 s LEU 71 CO 0.16 -0.12 0.35 -0.70 1.01 0.00 0.00 176.35 177.05 2ju3 s GLU 72 N 1.59 4.08 0.78 1.70 2.12 -1.26 0.30 118.70 128.01 2ju3 s GLU 72 Ca 0.05 0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.36 2ju3 s GLU 72 Cb -0.16 -3.59 0.12 0.00 0.26 0.00 0.00 34.13 30.76 2ju3 s GLU 72 CO 0.04 -0.14 1.09 0.95 -0.54 0.00 0.00 175.26 176.66 2ju3 s THR 73 N 1.63 2.16 -1.80 -1.70 -4.23 0.75 -4.73 115.64 107.72 2ju3 s THR 73 Ca 0.15 -0.31 0.16 0.00 -1.18 0.00 0.00 61.69 60.51 2ju3 s THR 73 Cb -0.15 -2.85 0.40 0.00 1.34 0.00 0.00 72.50 71.25 2ju3 s THR 73 CO 0.08 0.00 1.42 1.15 -0.54 0.00 0.00 174.62 176.73 2ju3 n MET 74 N -3.11 0.42 0.00 3.99 0.00 -1.26 -1.38 117.12 115.77 2ju3 n MET 74 Ca 0.12 0.05 0.11 0.00 0.00 0.00 0.00 57.70 57.98 2ju3 n MET 74 Cb 0.60 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.33 2ju3 n MET 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2ju3 n THR 75 N -1.10 0.00 0.00 3.17 -2.24 -1.26 -4.94 114.28 107.91 2ju3 n THR 75 Ca 0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2ju3 n THR 75 Cb 0.08 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.48 1.14 3.70 3.38 0.00 -0.48 -5.03 105.19 109.37 2ju3 n GLY 76 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2ju3 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju3 s GLU 77 N -0.72 4.46 -0.12 1.61 2.12 -1.26 -4.75 118.70 120.04 2ju3 s GLU 77 Ca 0.00 1.28 -0.01 0.00 0.36 0.00 0.00 54.97 56.59 2ju3 s GLU 77 Cb 0.00 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 2ju3 s GLU 77 CO 0.00 -0.16 -0.06 0.21 -0.54 0.00 0.00 175.26 174.71 2ju3 s LYS 78 N 1.48 3.26 -0.08 4.30 2.20 -1.26 -0.18 119.74 129.46 2ju3 s LYS 78 Ca 0.47 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 2ju3 s LYS 78 Cb -0.19 -2.75 0.02 0.00 -1.51 0.00 0.00 37.83 33.39 2ju3 s LYS 78 CO 0.21 0.42 -0.09 0.54 -0.36 0.00 0.00 175.35 176.07 2ju3 s VAL 79 N -0.15 0.99 0.13 4.02 0.11 0.15 -4.88 120.40 120.77 2ju3 s VAL 79 Ca 0.02 -0.34 -0.31 0.00 -2.93 0.00 0.00 61.98 58.42 2ju3 s VAL 79 Cb -0.13 -0.96 -0.09 0.00 -1.53 0.00 0.00 36.38 33.67 2ju3 s VAL 79 CO 0.03 0.34 1.49 -1.59 -3.33 0.00 0.00 175.10 172.04 2ju3 s LYS 80 N 1.13 4.26 0.01 1.54 -2.85 -1.26 0.59 119.74 123.17 2ju3 s LYS 80 Ca -0.06 2.22 0.00 0.00 -1.00 0.00 0.00 55.97 57.13 2ju3 s LYS 80 Cb -0.14 -3.25 -0.01 0.00 -2.06 0.00 0.00 37.83 32.36 2ju3 s LYS 80 CO -0.01 -0.55 -0.03 0.00 0.10 0.00 0.00 175.35 174.86 2ju3 s ALA 81 N 1.32 0.13 -0.37 0.59 0.00 0.25 -4.89 121.76 118.79 2ju3 s ALA 81 Ca 0.68 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 2ju3 s ALA 81 Cb -0.40 0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ju3 s ALA 81 CO 0.31 -0.09 0.24 0.08 0.00 0.00 0.00 175.76 176.30 2ju3 s VAL 82 N -0.96 5.01 -0.19 0.00 1.01 -1.26 -0.33 120.40 123.67 2ju3 s VAL 82 Ca -0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2ju3 s VAL 82 Cb -0.07 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2ju3 s VAL 82 CO -0.01 -0.17 -0.05 0.54 0.00 0.00 0.00 175.10 175.41 2ju3 s VAL 83 N 1.65 3.49 0.15 2.92 0.11 -1.25 -4.32 120.40 123.14 2ju3 s VAL 83 Ca 0.04 -0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 2ju3 s VAL 83 Cb -0.18 -2.56 -0.02 0.00 -1.53 0.00 0.00 36.38 32.08 2ju3 s VAL 83 CO 0.09 0.45 0.18 -0.75 -3.33 0.00 0.00 175.10 171.73 2ju3 s LYS 84 N 1.07 1.04 0.06 1.54 2.20 -1.12 0.06 119.74 124.59 2ju3 s LYS 84 Ca 0.01 -1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 54.03 2ju3 s LYS 84 Cb -0.15 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 2ju3 s LYS 84 CO -0.00 -0.34 0.97 -1.64 -0.36 0.00 0.00 175.35 173.97 2ju3 s MET 85 N -4.00 4.64 0.09 4.03 -1.94 -1.26 -0.50 119.30 120.35 2ju3 s MET 85 Ca 0.20 1.44 -0.11 0.00 -1.71 0.00 0.00 55.69 55.51 2ju3 s MET 85 Cb 0.05 -3.41 -0.06 0.00 2.01 0.00 0.00 34.83 33.42 2ju3 s MET 85 CO 0.01 0.10 0.43 -2.00 -0.01 0.00 0.00 175.02 173.55 2ju3 s GLU 86 N 0.43 3.81 -1.07 2.03 2.12 -0.49 -4.86 118.70 120.67 2ju3 s GLU 86 Ca 0.49 0.25 -0.25 0.00 0.36 0.00 0.00 54.97 55.82 2ju3 s GLU 86 Cb -0.22 -2.99 -0.14 0.00 0.26 0.00 0.00 34.13 31.04 2ju3 s GLU 86 CO 0.29 0.55 2.05 0.20 -0.54 0.00 0.00 175.26 177.81 2ju3 s GLY 87 N -1.72 -0.39 0.00 -1.50 0.00 -1.26 -3.56 107.32 98.89 2ju3 s GLY 87 Ca 0.34 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2ju3 s GLY 87 CO 0.18 3.88 0.00 1.34 0.00 0.00 0.00 173.10 178.50 2ju3 n ASP 88 N 16.67 0.00 0.00 1.64 -0.08 -1.26 -5.07 116.55 128.45 2ju3 n ASP 88 Ca 0.43 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 2ju3 n ASP 88 Cb 0.46 0.33 0.00 0.00 2.34 0.00 0.00 41.12 44.26 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 -2.05 0.00 -2.09 1.67 3.02 -1.23 -4.98 115.26 109.60 2ju3 n ASN 89 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 2ju3 n ASN 89 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2ju3 n ASN 89 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ju3 n LYS 90 N -1.13 0.42 -3.97 3.52 5.02 -1.19 -3.12 118.16 117.71 2ju3 n LYS 90 Ca 0.00 -1.52 -0.29 0.00 -2.02 0.00 0.00 58.31 54.48 2ju3 n LYS 90 Cb 0.00 1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 36.47 2ju3 n LYS 90 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ju3 s MET 91 N -2.40 3.25 -0.08 1.97 -1.94 -0.48 -1.40 119.30 118.23 2ju3 s MET 91 Ca 0.15 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 2ju3 s MET 91 Cb -0.01 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 2ju3 s MET 91 CO 0.11 0.57 -0.12 0.08 -0.01 0.00 0.00 175.02 175.65 2ju3 s VAL 92 N -1.56 3.26 -0.08 -6.03 1.01 0.35 -0.75 120.40 116.59 2ju3 s VAL 92 Ca 0.33 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 2ju3 s VAL 92 Cb -0.12 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2ju3 s VAL 92 CO 0.26 0.57 -0.04 0.28 0.00 0.00 0.00 175.10 176.17 2ju3 s THR 93 N -0.44 0.69 -0.22 3.92 -1.32 0.17 -2.80 115.64 115.63 2ju3 s THR 93 Ca 0.06 -0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.29 2ju3 s THR 93 Cb -0.12 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 2ju3 s THR 93 CO 0.02 0.30 0.28 0.42 -2.21 0.00 0.00 174.62 173.43 2ju3 s THR 94 N 1.55 5.27 -0.01 5.08 -4.23 -1.26 -1.27 115.64 120.77 2ju3 s THR 94 Ca 0.00 0.45 -0.23 0.00 -1.18 0.00 0.00 61.69 60.73 2ju3 s THR 94 Cb -0.13 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.14 2ju3 s THR 94 CO -0.04 0.29 0.51 0.72 -0.54 0.00 0.00 174.62 175.56 2ju3 s PHE 95 N 1.22 -0.43 0.00 3.99 -0.71 0.06 -4.44 117.98 117.68 2ju3 s PHE 95 Ca 0.13 0.65 0.00 0.00 -1.04 0.00 0.00 56.93 56.67 2ju3 s PHE 95 Cb -0.14 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 2ju3 s PHE 95 CO 0.06 -0.54 0.00 1.63 -1.34 0.00 0.00 175.22 175.03 2ju3 n LYS 96 N 0.90 -0.77 -0.39 1.99 4.76 -1.26 -0.17 118.16 123.21 2ju3 n LYS 96 Ca -0.20 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2ju3 n LYS 96 Cb 0.58 -4.01 0.00 0.00 -1.84 0.00 0.00 35.03 29.76 2ju3 n LYS 96 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ju3 n GLY 97 N -1.11 1.16 3.88 0.72 0.00 -1.26 -5.04 105.19 103.54 2ju3 n GLY 97 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.00 5.18 -0.29 -0.61 -5.25 0.76 -4.78 121.20 113.21 2ju3 s ILE 98 Ca 0.00 -0.42 -0.08 0.00 -0.99 0.00 0.00 60.65 59.16 2ju3 s ILE 98 Cb 0.00 -3.48 -0.01 0.00 2.95 0.00 0.00 42.46 41.91 2ju3 s ILE 98 CO 0.00 0.19 0.11 -0.54 -1.79 0.00 0.00 174.94 172.91 2ju3 s LYS 99 N -2.30 3.43 -0.24 0.37 3.01 0.64 -0.76 119.74 123.89 2ju3 s LYS 99 Ca 0.31 -0.64 -0.02 0.00 -1.01 0.00 0.00 55.97 54.61 2ju3 s LYS 99 Cb -0.13 -3.45 0.02 0.00 -1.01 0.00 0.00 37.83 33.27 2ju3 s LYS 99 CO 0.24 -0.33 -0.07 0.45 0.51 0.00 0.00 175.35 176.14 2ju3 s SER 100 N 1.60 4.19 -0.11 2.83 0.15 -0.40 0.80 113.70 122.75 2ju3 s SER 100 Ca 0.05 -0.78 -0.05 0.00 0.70 0.00 0.00 55.95 55.87 2ju3 s SER 100 Cb -0.16 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2ju3 s SER 100 CO 0.05 -0.10 0.07 0.54 1.20 0.00 0.00 173.24 175.00 2ju3 s VAL 101 N 1.34 4.91 -0.03 4.45 0.11 0.32 0.43 120.40 131.93 2ju3 s VAL 101 Ca 0.01 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 2ju3 s VAL 101 Cb -0.16 -3.12 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 2ju3 s VAL 101 CO -0.05 0.60 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.23 2ju3 s THR 102 N -0.80 1.53 -0.02 5.04 2.01 0.07 0.81 115.64 124.28 2ju3 s THR 102 Ca 0.13 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2ju3 s THR 102 Cb -0.12 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 2ju3 s THR 102 CO 0.03 0.44 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.57 2ju3 s GLU 103 N -0.23 1.20 -0.36 4.92 2.12 0.31 -1.38 118.70 125.28 2ju3 s GLU 103 Ca 0.02 -0.44 -0.10 0.00 0.36 0.00 0.00 54.97 54.82 2ju3 s GLU 103 Cb -0.10 -1.11 0.03 0.00 0.26 0.00 0.00 34.13 33.22 2ju3 s GLU 103 CO 0.01 0.20 0.17 0.12 -0.54 0.00 0.00 175.26 175.23 2ju3 s PHE 104 N -0.02 3.25 -0.40 5.30 2.19 -1.18 0.60 117.98 127.72 2ju3 s PHE 104 Ca -0.00 -1.10 -0.01 0.00 0.33 0.00 0.00 56.93 56.14 2ju3 s PHE 104 Cb -0.08 -2.39 0.11 0.00 -1.31 0.00 0.00 43.02 39.35 2ju3 s PHE 104 CO 0.01 -0.67 0.18 -0.80 1.83 0.00 0.00 175.22 175.76 2ju3 s ASN 105 N 1.51 5.14 1.76 6.13 0.01 -0.16 -4.77 114.94 124.55 2ju3 s ASN 105 Ca 0.01 -2.09 0.00 0.00 -0.71 0.00 0.00 52.86 50.07 2ju3 s ASN 105 Cb -0.19 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.68 2ju3 s ASN 105 CO 0.05 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.75 2ju3 n GLY 106 N 4.47 1.13 0.63 0.66 0.00 -1.26 -0.41 105.19 110.41 2ju3 n GLY 106 Ca -0.00 0.46 0.08 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 11.02 2.31 -4.68 1.61 5.75 -1.26 -4.97 116.55 126.34 2ju3 n ASP 107 Ca 0.00 -1.65 -0.26 0.00 -0.01 0.00 0.00 54.79 52.87 2ju3 n ASP 107 Cb 0.00 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.01 2ju3 n ASP 107 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2ju3 s THR 108 N -1.29 3.75 -0.03 2.12 -4.23 0.45 -2.07 115.64 114.34 2ju3 s THR 108 Ca 0.18 -1.49 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 2ju3 s THR 108 Cb 0.13 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.04 2ju3 s THR 108 CO 0.19 -0.17 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.23 2ju3 s ILE 109 N -1.85 2.12 -0.31 2.99 1.01 0.14 -0.99 121.20 124.31 2ju3 s ILE 109 Ca 0.29 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 2ju3 s ILE 109 Cb -0.09 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.68 2ju3 s ILE 109 CO 0.19 0.58 0.05 0.42 0.00 0.00 0.00 174.94 176.18 2ju3 s THR 110 N -0.53 3.42 -0.29 2.92 -4.23 0.20 0.10 115.64 117.24 2ju3 s THR 110 Ca 0.07 -1.16 -0.09 0.00 -1.18 0.00 0.00 61.69 59.33 2ju3 s THR 110 Cb -0.11 -2.91 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2ju3 s THR 110 CO 0.00 -0.08 0.13 0.21 -0.54 0.00 0.00 174.62 174.34 2ju3 s ASN 111 N 1.35 5.46 -0.25 3.99 3.84 0.41 0.11 114.94 129.85 2ju3 s ASN 111 Ca -0.02 -0.35 0.00 0.00 0.21 0.00 0.00 52.86 52.70 2ju3 s ASN 111 Cb -0.19 -1.99 0.04 0.00 -0.55 0.00 0.00 41.25 38.56 2ju3 s ASN 111 CO 0.01 -0.12 -0.09 -0.89 -2.79 0.00 0.00 177.10 173.21 2ju3 s THR 112 N 1.63 2.54 -0.11 -5.21 2.01 0.24 0.52 115.64 117.26 2ju3 s THR 112 Ca 0.05 -1.23 -0.05 0.00 0.31 0.00 0.00 61.69 60.78 2ju3 s THR 112 Cb -0.16 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2ju3 s THR 112 CO 0.06 0.16 0.08 -0.32 -0.69 0.00 0.00 174.62 173.90 2ju3 s MET 113 N 1.25 3.29 -0.12 4.92 1.75 0.49 0.12 119.30 130.99 2ju3 s MET 113 Ca -0.02 -0.26 0.00 0.00 -1.25 0.00 0.00 55.69 54.16 2ju3 s MET 113 Cb -0.17 -3.02 0.02 0.00 2.84 0.00 0.00 34.83 34.49 2ju3 s MET 113 CO -0.06 0.71 -0.11 0.99 -0.65 0.00 0.00 175.02 175.90 2ju3 s THR 114 N -0.85 1.25 -0.32 10.11 2.01 0.24 0.11 115.64 128.18 2ju3 s THR 114 Ca 0.13 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2ju3 s THR 114 Cb -0.12 -1.21 0.07 0.00 0.01 0.00 0.00 72.50 71.26 2ju3 s THR 114 CO 0.03 0.40 0.03 -0.22 -0.69 0.00 0.00 174.62 174.17 2ju3 s LEU 115 N 1.48 4.24 0.00 4.42 0.20 0.12 -0.26 118.68 128.89 2ju3 s LEU 115 Ca 0.02 -1.63 0.00 0.00 0.69 0.00 0.00 54.13 53.22 2ju3 s LEU 115 Cb -0.13 -1.68 0.00 0.00 -0.43 0.00 0.00 46.19 43.94 2ju3 s LEU 115 CO -0.07 -0.33 0.00 0.61 -0.29 0.00 0.00 176.35 176.27 2ju3 n GLY 116 N 4.50 0.44 0.11 7.98 0.00 -1.26 -0.20 105.19 116.76 2ju3 n GLY 116 Ca -0.08 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 2.42 1.18 -4.72 1.61 2.03 -1.26 -4.95 116.55 112.86 2ju3 n ASP 117 Ca 0.00 0.05 -0.41 0.00 0.52 0.00 0.00 54.79 54.94 2ju3 n ASP 117 Cb 0.00 0.04 -0.04 0.00 -0.72 0.00 0.00 41.12 40.40 2ju3 n ASP 117 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2ju3 s ILE 118 N -2.53 4.25 -0.00 5.18 -4.36 0.72 -5.04 121.20 119.42 2ju3 s ILE 118 Ca -0.20 1.76 0.04 0.00 -0.26 0.00 0.00 60.65 61.99 2ju3 s ILE 118 Cb 0.07 -4.13 -0.03 0.00 1.25 0.00 0.00 42.46 39.62 2ju3 s ILE 118 CO 0.74 0.22 -0.09 0.54 0.24 0.00 0.00 174.94 176.59 2ju3 s VAL 119 N 0.41 3.48 -0.03 8.37 0.11 -1.26 0.15 120.40 131.63 2ju3 s VAL 119 Ca 0.52 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 2ju3 s VAL 119 Cb -0.26 -2.49 -0.01 0.00 -1.53 0.00 0.00 36.38 32.09 2ju3 s VAL 119 CO 0.31 0.42 -0.18 -0.47 -3.33 0.00 0.00 175.10 171.85 2ju3 s TYR 120 N -0.95 1.69 0.02 1.54 5.04 0.31 -4.62 117.35 120.39 2ju3 s TYR 120 Ca 0.16 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.40 2ju3 s TYR 120 Cb -0.11 -1.12 -0.02 0.00 0.35 0.00 0.00 41.96 41.07 2ju3 s TYR 120 CO 0.06 -0.11 -0.09 0.21 -1.34 0.00 0.00 175.55 174.29 2ju3 s LYS 121 N -0.17 0.63 0.02 4.97 2.36 0.64 0.18 119.74 128.37 2ju3 s LYS 121 Ca 0.01 -0.56 0.01 0.00 -2.55 0.00 0.00 55.97 52.88 2ju3 s LYS 121 Cb -0.10 -0.54 -0.01 0.00 -1.05 0.00 0.00 37.83 36.13 2ju3 s LYS 121 CO 0.01 0.13 -0.04 1.03 1.55 0.00 0.00 175.35 178.03 2ju3 s ARG 122 N -0.93 0.31 -0.21 4.03 0.52 0.19 0.58 118.95 123.44 2ju3 s ARG 122 Ca -0.02 -0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 54.72 2ju3 s ARG 122 Cb -0.07 -0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.35 2ju3 s ARG 122 CO 0.00 0.00 -0.13 0.08 0.02 0.00 0.00 175.30 175.27 2ju3 s VAL 123 N -0.96 2.51 0.05 3.52 1.01 0.44 0.15 120.40 127.12 2ju3 s VAL 123 Ca -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2ju3 s VAL 123 Cb -0.07 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 2ju3 s VAL 123 CO -0.00 0.42 0.26 -0.44 0.00 0.00 0.00 175.10 175.33 2ju3 s SER 124 N 1.33 6.43 0.01 3.32 0.01 0.28 0.60 113.70 125.69 2ju3 s SER 124 Ca 0.03 0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.81 2ju3 s SER 124 Cb -0.14 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 2ju3 s SER 124 CO -0.09 0.19 -0.24 -0.75 0.41 0.00 0.00 173.24 172.76 2ju3 s LYS 125 N -2.20 2.01 0.18 12.44 2.36 0.18 0.24 119.74 134.96 2ju3 s LYS 125 Ca 0.32 -0.99 -0.31 0.00 -2.55 0.00 0.00 55.97 52.44 2ju3 s LYS 125 Cb -0.13 -2.07 -0.10 0.00 -1.05 0.00 0.00 37.83 34.48 2ju3 s LYS 125 CO 0.22 0.54 1.49 0.50 1.55 0.00 0.00 175.35 179.65 2ju3 s ARG 126 N -1.03 4.25 0.00 4.03 3.52 -0.88 0.32 118.95 129.17 2ju3 s ARG 126 Ca 0.12 2.28 0.25 0.00 -0.13 0.00 0.00 55.73 58.25 2ju3 s ARG 126 Cb -0.10 -3.16 0.32 0.00 -1.56 0.00 0.00 34.95 30.45 2ju3 s ARG 126 CO 0.01 -0.51 1.33 0.44 -0.81 0.00 0.00 175.30 175.77