#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 6.08 -0.73 7.83 0.01 -1.26 -4.94 114.94 121.93 2ju3 s ASN 2 Ca 0.00 -0.85 -0.01 0.00 -0.71 0.00 0.00 52.86 51.29 2ju3 s ASN 2 Cb 0.00 -2.15 0.41 0.00 0.41 0.00 0.00 41.25 39.92 2ju3 s ASN 2 CO 0.00 -0.42 1.97 0.49 -1.51 0.00 0.00 177.10 177.63 2ju3 n PHE 3 N 5.14 3.11 -2.18 2.20 3.72 -1.26 -4.94 117.46 123.26 2ju3 n PHE 3 Ca -0.11 -2.70 -0.42 0.00 -0.05 0.00 0.00 57.45 54.17 2ju3 n PHE 3 Cb 0.47 -1.25 -0.03 0.00 -0.94 0.00 0.00 39.48 37.74 2ju3 n PHE 3 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2ju3 s SER 4 N -1.63 6.82 0.00 4.37 0.01 -1.24 -4.71 113.70 117.32 2ju3 s SER 4 Ca 0.58 2.20 0.00 0.00 1.31 0.00 0.00 55.95 60.04 2ju3 s SER 4 Cb 0.47 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2ju3 s SER 4 CO -0.19 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2ju3 n GLY 5 N 3.66 -0.88 3.85 3.44 0.00 0.30 -4.93 105.19 110.62 2ju3 n GLY 5 Ca 0.13 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 3.63 -0.15 1.61 2.47 -1.26 0.17 119.74 124.21 2ju3 s LYS 6 Ca 0.00 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.33 2ju3 s LYS 6 Cb 0.00 -3.24 0.03 0.00 -1.46 0.00 0.00 37.83 33.16 2ju3 s LYS 6 CO 0.00 0.68 -0.10 0.71 0.16 0.00 0.00 175.35 176.79 2ju3 s TYR 7 N -0.76 1.97 -0.24 4.03 1.51 0.31 -2.91 117.35 121.27 2ju3 s TYR 7 Ca 0.15 -1.16 -0.13 0.00 -1.01 0.00 0.00 57.07 54.92 2ju3 s TYR 7 Cb -0.12 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 2ju3 s TYR 7 CO 0.04 -0.64 0.27 1.14 -1.11 0.00 0.00 175.55 175.25 2ju3 s GLN 8 N 1.55 4.08 0.26 -0.62 -2.07 0.87 -0.83 119.66 122.90 2ju3 s GLN 8 Ca 0.03 -0.08 -0.30 0.00 -1.82 0.00 0.00 55.36 53.19 2ju3 s GLN 8 Cb -0.14 -3.57 -0.10 0.00 -1.09 0.00 0.00 33.01 28.11 2ju3 s GLN 8 CO -0.09 -0.05 1.46 0.08 -1.32 0.00 0.00 175.29 175.37 2ju3 s VAL 9 N 1.36 2.58 0.00 3.63 1.01 -1.10 0.18 120.40 128.05 2ju3 s VAL 9 Ca 0.12 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2ju3 s VAL 9 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2ju3 s VAL 9 CO 0.07 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.25 2ju3 n GLN 10 N 2.30 0.00 -3.35 2.72 1.13 0.19 -4.71 117.38 115.65 2ju3 n GLN 10 Ca 0.07 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.81 2ju3 n GLN 10 Cb 0.40 -0.26 -0.05 0.00 0.11 0.00 0.00 30.24 30.44 2ju3 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2ju3 s SER 11 N -4.42 6.65 0.07 1.08 0.15 -0.79 -4.87 113.70 111.58 2ju3 s SER 11 Ca 0.00 0.99 -0.13 0.00 0.70 0.00 0.00 55.95 57.51 2ju3 s SER 11 Cb 0.00 -2.25 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 2ju3 s SER 11 CO 0.00 -0.10 0.30 -1.10 1.20 0.00 0.00 173.24 173.54 2ju3 s GLN 12 N -2.87 0.87 0.09 5.44 1.11 -1.26 0.17 119.66 123.21 2ju3 s GLN 12 Ca 0.49 -0.63 0.10 0.00 0.01 0.00 0.00 55.36 55.32 2ju3 s GLN 12 Cb -0.11 0.37 -0.03 0.00 -1.01 0.00 0.00 33.01 32.23 2ju3 s GLN 12 CO 0.21 -0.29 -0.25 -1.21 0.01 0.00 0.00 175.29 173.75 2ju3 s GLU 13 N -3.05 1.45 -1.48 2.91 0.41 0.18 -4.83 118.70 114.29 2ju3 s GLU 13 Ca -0.01 -1.21 -0.12 0.00 -0.41 0.00 0.00 54.97 53.22 2ju3 s GLU 13 Cb 0.01 -1.79 0.06 0.00 -1.78 0.00 0.00 34.13 30.64 2ju3 s GLU 13 CO -0.07 0.44 1.00 0.09 -0.49 0.00 0.00 175.26 176.23 2ju3 n ASN 14 N 1.26 -4.71 -0.05 -0.19 3.02 -1.26 -1.85 115.26 111.47 2ju3 n ASN 14 Ca -0.18 -0.74 -0.16 0.00 -0.03 0.00 0.00 54.58 53.47 2ju3 n ASN 14 Cb 0.53 -4.12 -0.06 0.00 -0.61 0.00 0.00 39.78 35.52 2ju3 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2ju3 h PHE 15 N -2.18 1.01 0.69 3.10 3.04 -1.88 -3.15 116.94 117.58 2ju3 h PHE 15 Ca -0.58 -0.40 -0.03 0.00 3.98 0.00 0.00 57.97 60.94 2ju3 h PHE 15 Cb 1.37 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 2ju3 h PHE 15 CO 0.55 1.21 -0.45 0.93 -2.02 0.00 0.00 178.31 178.53 2ju3 h GLU 16 N 0.51 -1.05 -0.24 1.11 5.08 -1.89 -1.23 114.58 116.88 2ju3 h GLU 16 Ca -0.01 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2ju3 h GLU 16 Cb 1.22 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2ju3 h GLU 16 CO 0.13 -0.70 0.20 -1.00 -1.00 0.00 0.00 179.01 176.64 2ju3 h PRO 17 N -1.09 0.00 0.09 2.33 0.13 -1.95 1.35 132.00 132.86 2ju3 h PRO 17 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2ju3 h PRO 17 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2ju3 h PRO 17 CO 0.07 0.00 -0.04 0.35 -0.23 0.00 0.00 178.00 178.15 2ju3 h PHE 18 N 0.00 -0.11 -0.08 1.56 3.57 -1.42 -1.58 116.94 118.88 2ju3 h PHE 18 Ca 0.11 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 2ju3 h PHE 18 Cb 0.51 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2ju3 h PHE 18 CO 0.00 0.42 -0.43 0.52 -2.23 0.00 0.00 178.31 176.59 2ju3 h MET 19 N -0.76 0.17 -0.22 1.11 2.86 -0.19 -0.08 114.93 117.83 2ju3 h MET 19 Ca -0.01 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2ju3 h MET 19 Cb 0.58 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2ju3 h MET 19 CO 0.02 0.57 0.13 0.87 1.06 0.00 0.00 176.91 179.56 2ju3 h LYS 20 N 0.14 0.26 0.00 1.72 1.57 0.17 0.55 116.57 120.99 2ju3 h LYS 20 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2ju3 h LYS 20 Cb 0.82 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ju3 h LYS 20 CO 0.06 0.17 -0.06 0.00 -0.57 0.00 0.00 179.45 179.05 2ju3 h ALA 21 N 1.09 1.01 0.00 3.86 0.00 -1.09 -0.22 119.26 123.92 2ju3 h ALA 21 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ju3 h ALA 21 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ju3 h ALA 21 CO -0.04 0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.96 2ju3 n MET 22 N -3.18 0.74 0.00 0.00 2.81 -0.06 -4.85 117.12 112.57 2ju3 n MET 22 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2ju3 n MET 22 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.10 0.99 3.72 3.03 0.00 -0.10 -5.01 105.19 108.92 2ju3 n GLY 23 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 0.39 0.99 2.96 0.18 -4.97 118.68 122.54 2ju3 s LEU 24 Ca 0.00 0.98 -0.26 0.00 -0.22 0.00 0.00 54.13 54.63 2ju3 s LEU 24 Cb 0.00 -2.85 -0.09 0.00 0.50 0.00 0.00 46.19 43.75 2ju3 s LEU 24 CO 0.00 -0.03 1.24 -2.16 -1.32 0.00 0.00 176.35 174.08 2ju3 s PRO 25 N 0.60 4.06 0.50 0.98 0.04 -1.26 -3.97 135.00 135.95 2ju3 s PRO 25 Ca 0.31 2.01 0.24 0.00 0.04 0.00 0.00 61.00 63.59 2ju3 s PRO 25 Cb -0.16 -2.77 1.30 0.00 0.04 0.00 0.00 34.50 32.91 2ju3 s PRO 25 CO 0.14 -0.36 1.94 1.49 0.04 0.00 0.00 177.00 180.24 2ju3 h GLU 26 N 2.77 0.14 -0.28 4.56 4.81 -1.96 0.57 114.58 125.18 2ju3 h GLU 26 Ca -0.49 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2ju3 h GLU 26 Cb 1.24 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2ju3 h GLU 26 CO 0.63 0.09 0.05 0.22 -0.73 0.00 0.00 179.01 179.27 2ju3 h ASP 27 N 0.14 0.44 0.50 1.04 1.82 -1.99 0.17 116.42 118.55 2ju3 h ASP 27 Ca 0.34 -0.25 -0.13 0.00 -0.39 0.00 0.00 57.03 56.60 2ju3 h ASP 27 Cb 1.15 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 2ju3 h ASP 27 CO -0.05 0.58 -0.59 -0.07 -1.61 0.00 0.00 179.24 177.51 2ju3 h LEU 28 N 0.28 0.10 -0.32 2.28 3.38 -1.19 -2.75 115.31 117.08 2ju3 h LEU 28 Ca 0.09 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2ju3 h LEU 28 Cb 0.33 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2ju3 h LEU 28 CO 0.00 0.66 0.14 0.40 0.09 0.00 0.00 178.44 179.74 2ju3 h ILE 29 N 0.07 0.96 0.00 1.22 1.08 0.31 0.28 117.51 121.43 2ju3 h ILE 29 Ca -0.01 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 2ju3 h ILE 29 Cb 1.05 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 2ju3 h ILE 29 CO 0.08 0.06 -0.16 1.56 -0.69 0.00 0.00 178.15 178.99 2ju3 h GLN 30 N 0.30 0.00 0.08 2.37 4.20 -0.37 0.51 115.11 122.20 2ju3 h GLN 30 Ca 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2ju3 h GLN 30 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2ju3 h GLN 30 CO -0.11 0.16 -0.04 0.87 -0.67 0.00 0.00 178.83 179.04 2ju3 h LYS 31 N 0.00 -0.11 -0.09 1.46 6.56 -1.29 -3.35 116.57 119.76 2ju3 h LYS 31 Ca -0.00 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 2ju3 h LYS 31 Cb 0.48 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 2ju3 h LYS 31 CO 0.02 -0.07 0.11 0.78 -2.06 0.00 0.00 179.45 178.23 2ju3 h GLY 32 N -0.98 0.00 2.00 3.86 0.00 -0.31 -2.42 103.07 105.22 2ju3 h GLY 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2ju3 h GLY 32 CO 0.02 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.14 2ju3 n LYS 33 N -3.76 0.01 0.00 4.80 2.85 0.18 -0.62 118.16 121.62 2ju3 n LYS 33 Ca -0.01 0.40 0.12 0.00 -1.05 0.00 0.00 58.31 57.77 2ju3 n LYS 33 Cb 0.21 -1.53 0.15 0.00 -0.65 0.00 0.00 35.03 33.21 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 -1.56 1.62 -4.78 -5.58 2.03 -0.91 -4.85 116.55 102.51 2ju3 n ASP 34 Ca 0.01 -1.26 -0.39 0.00 0.52 0.00 0.00 54.79 53.67 2ju3 n ASP 34 Cb 0.08 0.34 -0.06 0.00 -0.72 0.00 0.00 41.12 40.76 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 -2.49 4.79 0.00 5.18 1.09 0.21 -4.92 121.20 125.07 2ju3 s ILE 35 Ca 0.21 1.30 0.00 0.00 -1.10 0.00 0.00 60.65 61.06 2ju3 s ILE 35 Cb 0.19 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 2ju3 s ILE 35 CO 0.55 0.47 0.00 0.29 -0.10 0.00 0.00 174.94 176.15 2ju3 n LYS 36 N 2.28 1.07 0.00 2.79 4.01 -1.26 -4.98 118.16 122.07 2ju3 n LYS 36 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2ju3 n LYS 36 Cb 0.51 -0.81 0.00 0.00 -0.51 0.00 0.00 35.03 34.22 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 2.44 -0.89 3.63 0.72 0.00 -1.25 -4.74 105.19 105.09 2ju3 n GLY 37 Ca 0.00 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.58 4.62 0.10 1.61 1.01 -1.17 -2.71 120.40 121.27 2ju3 s VAL 38 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 61.98 2ju3 s VAL 38 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2ju3 s VAL 38 CO 0.00 0.49 -0.26 -0.44 0.00 0.00 0.00 175.10 174.89 2ju3 s SER 39 N 0.18 3.13 -0.05 3.32 0.01 -0.01 -1.01 113.70 119.27 2ju3 s SER 39 Ca 0.03 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 56.65 2ju3 s SER 39 Cb -0.13 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.87 2ju3 s SER 39 CO 0.01 0.19 -0.17 -0.70 0.41 0.00 0.00 173.24 172.97 2ju3 s GLU 40 N -1.76 1.83 -0.19 12.44 2.12 0.25 0.12 118.70 133.50 2ju3 s GLU 40 Ca 0.12 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.85 2ju3 s GLU 40 Cb -0.10 -1.57 0.04 0.00 0.26 0.00 0.00 34.13 32.76 2ju3 s GLU 40 CO 0.04 0.23 -0.11 0.42 -0.54 0.00 0.00 175.26 175.31 2ju3 s ILE 41 N 0.07 1.64 -0.23 -3.70 -1.09 0.13 -0.80 121.20 117.22 2ju3 s ILE 41 Ca -0.05 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.44 2ju3 s ILE 41 Cb -0.12 -1.68 0.05 0.00 -1.58 0.00 0.00 42.46 39.13 2ju3 s ILE 41 CO 0.02 0.22 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.18 2ju3 s VAL 42 N 1.41 1.80 -0.29 2.92 1.01 -0.40 0.11 120.40 126.95 2ju3 s VAL 42 Ca -0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 2ju3 s VAL 42 Cb -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2ju3 s VAL 42 CO -0.09 0.01 0.16 -2.28 0.00 0.00 0.00 175.10 172.90 2ju3 s HIS 43 N 1.29 3.18 -0.25 5.22 5.04 -1.26 0.12 115.29 128.62 2ju3 s HIS 43 Ca -0.06 -0.27 0.02 0.00 -1.54 0.00 0.00 55.06 53.22 2ju3 s HIS 43 Cb -0.18 -2.36 0.06 0.00 0.04 0.00 0.00 32.58 30.13 2ju3 s HIS 43 CO -0.06 -0.33 -0.11 -2.00 -2.34 0.00 0.00 174.74 169.90 2ju3 s GLU 44 N 1.68 2.19 4.51 2.88 2.56 0.12 -4.59 118.70 128.04 2ju3 s GLU 44 Ca 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 54.97 53.80 2ju3 s GLU 44 Cb -0.16 -2.79 0.00 0.00 2.00 0.00 0.00 34.13 33.17 2ju3 s GLU 44 CO 0.08 -0.54 0.00 0.41 -0.56 0.00 0.00 175.26 174.65 2ju3 n GLY 45 N 4.50 1.20 0.14 -1.50 0.00 -1.26 -1.98 105.19 106.29 2ju3 n GLY 45 Ca -0.14 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 0.56 -2.40 1.61 4.01 -1.26 -4.91 118.16 115.76 2ju3 n LYS 46 Ca 0.00 0.15 -0.41 0.00 -0.51 0.00 0.00 58.31 57.54 2ju3 n LYS 46 Cb 0.00 -1.43 -0.04 0.00 -0.51 0.00 0.00 35.03 33.05 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 -2.45 4.54 -0.05 1.97 1.02 -0.84 -1.55 119.74 122.37 2ju3 s LYS 47 Ca -0.31 1.86 0.06 0.00 0.02 0.00 0.00 55.97 57.60 2ju3 s LYS 47 Cb 0.09 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 2ju3 s LYS 47 CO 0.50 0.01 -0.23 0.08 -0.92 0.00 0.00 175.35 174.80 2ju3 s VAL 48 N -0.49 1.89 -0.24 3.17 1.01 0.12 0.11 120.40 125.97 2ju3 s VAL 48 Ca 0.50 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2ju3 s VAL 48 Cb -0.33 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2ju3 s VAL 48 CO 0.39 0.53 0.71 -0.54 0.00 0.00 0.00 175.10 176.19 2ju3 s LYS 49 N -0.14 4.15 -0.33 2.72 1.02 0.31 -1.60 119.74 125.87 2ju3 s LYS 49 Ca -0.03 0.72 -0.01 0.00 0.02 0.00 0.00 55.97 56.66 2ju3 s LYS 49 Cb -0.13 -3.64 0.07 0.00 -0.52 0.00 0.00 37.83 33.61 2ju3 s LYS 49 CO 0.03 -0.44 0.05 -0.51 -0.92 0.00 0.00 175.35 173.57 2ju3 s LEU 50 N 2.58 4.31 -0.28 3.17 1.02 0.19 -1.28 118.68 128.38 2ju3 s LEU 50 Ca 0.30 -1.54 -0.05 0.00 0.02 0.00 0.00 54.13 52.85 2ju3 s LEU 50 Cb -0.15 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.34 2ju3 s LEU 50 CO 0.08 -0.34 0.04 -0.89 0.02 0.00 0.00 176.35 175.26 2ju3 s THR 51 N 1.19 3.66 -0.13 5.49 2.01 0.02 -0.30 115.64 127.58 2ju3 s THR 51 Ca -0.00 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.21 2ju3 s THR 51 Cb -0.20 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 69.45 2ju3 s THR 51 CO -0.03 0.11 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.26 2ju3 s ILE 52 N 1.45 1.38 -0.36 1.82 1.09 0.86 0.86 121.20 128.30 2ju3 s ILE 52 Ca 0.02 -0.52 -0.16 0.00 -1.10 0.00 0.00 60.65 58.89 2ju3 s ILE 52 Cb -0.17 -1.31 -0.01 0.00 -1.06 0.00 0.00 42.46 39.91 2ju3 s ILE 52 CO 0.01 0.42 0.40 -0.89 -0.10 0.00 0.00 174.94 174.78 2ju3 s THR 53 N 1.45 5.13 -0.58 2.92 2.01 -0.18 0.41 115.64 126.81 2ju3 s THR 53 Ca 0.03 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 2ju3 s THR 53 Cb -0.13 -3.88 0.14 0.00 0.01 0.00 0.00 72.50 68.64 2ju3 s THR 53 CO -0.08 -0.17 0.52 -0.31 -0.69 0.00 0.00 174.62 173.90 2ju3 s TYR 54 N 2.10 3.35 0.00 4.92 2.02 0.15 -3.07 117.35 126.83 2ju3 s TYR 54 Ca 0.13 -1.49 0.00 0.00 -0.37 0.00 0.00 57.07 55.34 2ju3 s TYR 54 Cb -0.16 -3.76 0.00 0.00 -0.40 0.00 0.00 41.96 37.64 2ju3 s TYR 54 CO 0.12 -1.01 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 2ju3 n GLY 55 N 4.99 0.89 0.01 0.71 0.00 -1.26 -1.92 105.19 108.61 2ju3 n GLY 55 Ca -0.09 0.45 0.02 0.00 0.00 0.00 0.00 46.02 46.40 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 4.52 3.61 -4.95 1.61 3.41 -1.26 -5.00 113.62 115.56 2ju3 n SER 56 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2ju3 n SER 56 Cb 0.00 1.22 -0.03 0.00 -0.26 0.00 0.00 64.21 65.14 2ju3 n SER 56 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ju3 s LYS 57 N -2.39 3.46 -0.10 4.33 1.02 -0.81 -5.10 119.74 120.15 2ju3 s LYS 57 Ca -0.02 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2ju3 s LYS 57 Cb 0.04 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 2ju3 s LYS 57 CO 0.25 0.44 -0.17 0.08 -0.92 0.00 0.00 175.35 175.04 2ju3 s VAL 58 N -1.87 1.57 -0.22 3.17 1.01 -1.26 0.32 120.40 123.12 2ju3 s VAL 58 Ca 0.36 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2ju3 s VAL 58 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2ju3 s VAL 58 CO 0.29 0.45 0.05 -0.63 0.00 0.00 0.00 175.10 175.27 2ju3 s ILE 59 N 0.81 4.32 -0.19 2.22 1.01 0.17 -4.96 121.20 124.57 2ju3 s ILE 59 Ca -0.10 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2ju3 s ILE 59 Cb -0.16 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.35 2ju3 s ILE 59 CO 0.01 0.38 -0.18 -2.28 0.00 0.00 0.00 174.94 172.88 2ju3 s HIS 60 N 1.21 2.83 -0.03 3.97 2.46 -1.26 -0.10 115.29 124.36 2ju3 s HIS 60 Ca 0.04 -1.64 -0.02 0.00 0.47 0.00 0.00 55.06 53.91 2ju3 s HIS 60 Cb -0.14 -1.94 0.01 0.00 -0.13 0.00 0.00 32.58 30.38 2ju3 s HIS 60 CO 0.03 -0.79 0.07 -0.80 -2.47 0.00 0.00 174.74 170.78 2ju3 s ASN 61 N 1.29 -0.06 -0.16 9.88 0.01 0.59 -4.85 114.94 121.65 2ju3 s ASN 61 Ca 0.04 0.15 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 2ju3 s ASN 61 Cb -0.14 0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.66 2ju3 s ASN 61 CO -0.12 -0.05 -0.16 -1.61 -1.51 0.00 0.00 177.10 173.65 2ju3 s GLU 62 N 0.33 2.51 0.06 -0.60 2.02 -1.26 0.53 118.70 122.28 2ju3 s GLU 62 Ca -0.02 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.40 2ju3 s GLU 62 Cb -0.04 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 2ju3 s GLU 62 CO -0.01 -0.22 -0.22 -0.59 0.02 0.00 0.00 175.26 174.24 2ju3 s PHE 63 N 1.41 1.92 -0.22 1.61 -0.12 -0.63 -4.77 117.98 117.17 2ju3 s PHE 63 Ca 0.04 -0.39 -0.12 0.00 -0.05 0.00 0.00 56.93 56.41 2ju3 s PHE 63 Cb -0.13 -1.12 -0.05 0.00 -0.63 0.00 0.00 43.02 41.10 2ju3 s PHE 63 CO -0.11 0.14 0.23 0.99 -0.05 0.00 0.00 175.22 176.42 2ju3 s THR 64 N -0.90 5.32 -0.05 -4.49 2.01 -1.26 0.15 115.64 116.42 2ju3 s THR 64 Ca 0.08 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 2ju3 s THR 64 Cb -0.09 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 2ju3 s THR 64 CO 0.03 0.33 1.99 -0.76 -0.69 0.00 0.00 174.62 175.51 2ju3 s LEU 65 N 1.07 4.15 0.00 4.42 2.01 -0.60 -1.48 118.68 128.26 2ju3 s LEU 65 Ca 0.11 2.39 0.00 0.00 0.01 0.00 0.00 54.13 56.64 2ju3 s LEU 65 Cb -0.14 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.54 2ju3 s LEU 65 CO 0.05 -1.28 0.00 0.61 1.01 0.00 0.00 176.35 176.74 2ju3 n GLY 66 N 4.82 0.82 3.22 -3.19 0.00 0.26 -4.87 105.19 106.25 2ju3 n GLY 66 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.03 1.26 -0.04 1.61 2.12 -0.55 -4.92 118.70 118.15 2ju3 s GLU 67 Ca 0.00 -0.89 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 2ju3 s GLU 67 Cb 0.00 -1.35 -0.05 0.00 0.26 0.00 0.00 34.13 32.99 2ju3 s GLU 67 CO 0.00 0.34 1.45 -2.00 -0.54 0.00 0.00 175.26 174.51 2ju3 s GLU 68 N -1.17 4.25 0.07 4.30 2.12 -1.26 -3.96 118.70 123.05 2ju3 s GLU 68 Ca 0.06 1.98 0.03 0.00 0.36 0.00 0.00 54.97 57.40 2ju3 s GLU 68 Cb -0.09 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 2ju3 s GLU 68 CO 0.02 -0.67 -0.10 0.00 -0.54 0.00 0.00 175.26 173.97 2ju3 s GLU 70 N -2.23 4.28 -0.23 0.00 8.01 -1.26 0.11 118.70 127.37 2ju3 s GLU 70 Ca -0.01 0.40 -0.08 0.00 0.01 0.00 0.00 54.97 55.29 2ju3 s GLU 70 Cb -0.06 -3.48 -0.04 0.00 -4.31 0.00 0.00 34.13 26.24 2ju3 s GLU 70 CO 0.00 0.05 0.09 -1.17 0.01 0.00 0.00 175.26 174.25 2ju3 s LEU 71 N 0.98 3.66 -0.16 1.80 1.98 0.11 -4.78 118.68 122.26 2ju3 s LEU 71 Ca 0.24 -0.08 -0.03 0.00 -2.89 0.00 0.00 54.13 51.38 2ju3 s LEU 71 Cb -0.15 -1.97 -0.02 0.00 0.66 0.00 0.00 46.19 44.71 2ju3 s LEU 71 CO 0.10 0.03 -0.06 -0.70 -1.89 0.00 0.00 176.35 173.83 2ju3 s GLU 72 N 1.23 3.55 0.56 1.98 2.12 -1.26 0.14 118.70 127.02 2ju3 s GLU 72 Ca 0.05 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 2ju3 s GLU 72 Cb -0.14 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.40 2ju3 s GLU 72 CO 0.04 0.16 0.83 0.95 -0.54 0.00 0.00 175.26 176.70 2ju3 s THR 73 N 0.55 3.41 -1.81 -1.70 -4.23 -0.16 -4.80 115.64 106.90 2ju3 s THR 73 Ca -0.04 -0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2ju3 s THR 73 Cb -0.15 -3.33 0.20 0.00 1.34 0.00 0.00 72.50 70.57 2ju3 s THR 73 CO 0.03 -0.29 0.99 1.15 -0.54 0.00 0.00 174.62 175.96 2ju3 n MET 74 N -2.45 0.21 0.02 3.99 0.00 -1.26 -1.02 117.12 116.61 2ju3 n MET 74 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 57.70 57.88 2ju3 n MET 74 Cb 0.58 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.19 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 -1.09 0.52 0.00 3.17 -2.24 -1.26 -4.98 114.28 108.40 2ju3 n THR 75 Ca 0.05 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2ju3 n THR 75 Cb 0.04 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 1.32 2.16 3.67 3.38 0.00 -0.19 -5.08 105.19 110.45 2ju3 n GLY 76 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.17 4.29 -0.10 1.61 8.01 -1.26 -4.75 118.70 126.34 2ju3 s GLU 77 Ca 0.00 1.41 0.00 0.00 0.01 0.00 0.00 54.97 56.39 2ju3 s GLU 77 Cb 0.00 -3.64 -0.02 0.00 -4.31 0.00 0.00 34.13 26.16 2ju3 s GLU 77 CO 0.00 -0.58 -0.10 0.21 0.01 0.00 0.00 175.26 174.80 2ju3 s LYS 78 N 3.01 3.03 -0.08 1.61 2.20 -1.25 -0.99 119.74 127.27 2ju3 s LYS 78 Ca 0.46 -0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2ju3 s LYS 78 Cb -0.17 -2.60 0.02 0.00 -1.51 0.00 0.00 37.83 33.58 2ju3 s LYS 78 CO 0.09 0.45 -0.04 0.54 -0.36 0.00 0.00 175.35 176.04 2ju3 s VAL 79 N -0.25 0.63 -0.10 4.02 0.11 0.12 -4.85 120.40 120.07 2ju3 s VAL 79 Ca 0.02 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 2ju3 s VAL 79 Cb -0.13 -0.70 -0.06 0.00 -1.53 0.00 0.00 36.38 33.96 2ju3 s VAL 79 CO 0.03 0.29 1.88 -1.59 -3.33 0.00 0.00 175.10 172.37 2ju3 s LYS 80 N 1.59 3.85 0.09 1.54 -2.85 -1.26 0.04 119.74 122.74 2ju3 s LYS 80 Ca 0.00 2.18 -0.05 0.00 -1.00 0.00 0.00 55.97 57.11 2ju3 s LYS 80 Cb -0.13 -4.15 -0.02 0.00 -2.06 0.00 0.00 37.83 31.47 2ju3 s LYS 80 CO -0.04 -1.26 0.10 0.00 0.10 0.00 0.00 175.35 174.24 2ju3 s ALA 81 N 5.39 0.27 -0.23 0.59 0.00 0.30 -4.85 121.76 123.21 2ju3 s ALA 81 Ca 0.84 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 2ju3 s ALA 81 Cb -0.35 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2ju3 s ALA 81 CO 0.35 -0.47 0.15 0.08 0.00 0.00 0.00 175.76 175.86 2ju3 s VAL 82 N -3.93 5.26 -0.17 0.00 1.01 -1.26 0.02 120.40 121.34 2ju3 s VAL 82 Ca 0.11 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 2ju3 s VAL 82 Cb 0.06 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2ju3 s VAL 82 CO -0.07 0.36 -0.09 0.54 0.00 0.00 0.00 175.10 175.84 2ju3 s VAL 83 N 1.02 3.23 0.20 2.92 0.11 -1.25 -4.43 120.40 122.18 2ju3 s VAL 83 Ca 0.07 -0.58 -0.06 0.00 -2.93 0.00 0.00 61.98 58.48 2ju3 s VAL 83 Cb -0.13 -2.40 -0.02 0.00 -1.53 0.00 0.00 36.38 32.29 2ju3 s VAL 83 CO 0.04 0.49 0.25 -0.75 -3.33 0.00 0.00 175.10 171.80 2ju3 s LYS 84 N 0.77 1.25 0.05 1.54 2.20 -1.15 0.92 119.74 125.31 2ju3 s LYS 84 Ca -0.04 -1.39 -0.27 0.00 -0.36 0.00 0.00 55.97 53.91 2ju3 s LYS 84 Cb -0.15 0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 36.47 2ju3 s LYS 84 CO 0.01 -0.45 0.84 -1.64 -0.36 0.00 0.00 175.35 173.76 2ju3 s MET 85 N -4.06 4.56 0.09 4.03 -1.94 -1.26 -0.54 119.30 120.17 2ju3 s MET 85 Ca 0.27 1.20 -0.10 0.00 -1.71 0.00 0.00 55.69 55.36 2ju3 s MET 85 Cb 0.04 -3.39 -0.06 0.00 2.01 0.00 0.00 34.83 33.44 2ju3 s MET 85 CO 0.07 0.20 0.41 -2.00 -0.01 0.00 0.00 175.02 173.69 2ju3 s GLU 86 N 0.16 3.77 -1.00 2.03 2.12 0.03 -4.86 118.70 120.95 2ju3 s GLU 86 Ca 0.42 0.18 -0.25 0.00 0.36 0.00 0.00 54.97 55.68 2ju3 s GLU 86 Cb -0.21 -2.98 -0.19 0.00 0.26 0.00 0.00 34.13 31.01 2ju3 s GLU 86 CO 0.25 0.55 1.99 0.41 -0.54 0.00 0.00 175.26 177.91 2ju3 n GLY 87 N 0.83 0.39 1.56 -1.50 0.00 -1.26 -3.31 105.19 101.91 2ju3 n GLY 87 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 16.04 0.00 0.00 1.61 -0.08 -1.26 -5.07 116.55 127.79 2ju3 n ASP 88 Ca 0.44 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 2ju3 n ASP 88 Cb 0.46 0.38 0.00 0.00 2.34 0.00 0.00 41.12 44.30 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 -2.17 0.00 -2.17 1.67 3.02 -1.21 -4.98 115.26 109.42 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 -1.07 0.47 -3.98 3.52 5.02 -1.18 -3.12 118.16 117.81 2ju3 n LYS 90 Ca 0.00 -1.61 -0.31 0.00 -2.02 0.00 0.00 58.31 54.37 2ju3 n LYS 90 Cb 0.00 1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 36.58 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 3.18 -0.06 1.97 -1.94 -0.58 -0.79 119.30 118.68 2ju3 s MET 91 Ca 0.16 -0.56 0.04 0.00 -1.71 0.00 0.00 55.69 53.62 2ju3 s MET 91 Cb -0.01 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.92 2ju3 s MET 91 CO 0.11 0.59 -0.18 0.08 -0.01 0.00 0.00 175.02 175.61 2ju3 s VAL 92 N -1.46 2.72 -0.02 -6.03 1.01 0.30 -0.59 120.40 116.32 2ju3 s VAL 92 Ca 0.32 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2ju3 s VAL 92 Cb -0.13 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2ju3 s VAL 92 CO 0.25 0.57 -0.02 0.28 0.00 0.00 0.00 175.10 176.19 2ju3 s THR 93 N -0.43 0.24 -0.19 3.92 -1.32 0.10 -2.96 115.64 115.00 2ju3 s THR 93 Ca 0.05 -0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.43 2ju3 s THR 93 Cb -0.12 -0.28 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 2ju3 s THR 93 CO 0.02 0.13 0.09 0.42 -2.21 0.00 0.00 174.62 173.07 2ju3 s THR 94 N 0.63 5.03 -0.15 5.08 -4.23 -1.26 -0.55 115.64 120.18 2ju3 s THR 94 Ca -0.06 0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.35 2ju3 s THR 94 Cb -0.10 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.50 2ju3 s THR 94 CO -0.01 0.45 0.42 0.72 -0.54 0.00 0.00 174.62 175.65 2ju3 s PHE 95 N 0.42 -0.45 -1.80 3.99 -0.71 0.61 -4.68 117.98 115.37 2ju3 s PHE 95 Ca 0.05 1.09 0.00 0.00 -1.04 0.00 0.00 56.93 57.03 2ju3 s PHE 95 Cb -0.12 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.85 2ju3 s PHE 95 CO -0.00 -0.23 0.00 1.63 -1.34 0.00 0.00 175.22 175.27 2ju3 n LYS 96 N 2.76 -1.52 -0.72 1.99 5.02 -1.26 -0.22 118.16 124.21 2ju3 n LYS 96 Ca -0.14 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2ju3 n LYS 96 Cb 0.57 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 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 -0.50 1.02 3.90 0.72 0.00 -1.26 -5.03 105.19 104.04 2ju3 n GLY 97 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.50 5.24 -0.26 -0.61 -5.25 0.69 -4.49 121.20 113.03 2ju3 s ILE 98 Ca 0.00 0.00 -0.03 0.00 -0.99 0.00 0.00 60.65 59.63 2ju3 s ILE 98 Cb 0.00 -3.61 0.02 0.00 2.95 0.00 0.00 42.46 41.82 2ju3 s ILE 98 CO 0.00 0.16 -0.03 -0.54 -1.79 0.00 0.00 174.94 172.74 2ju3 s LYS 99 N -2.35 2.87 -0.23 0.37 3.01 0.15 -0.28 119.74 123.29 2ju3 s LYS 99 Ca 0.36 -0.96 -0.01 0.00 -1.01 0.00 0.00 55.97 54.34 2ju3 s LYS 99 Cb -0.13 -3.08 0.02 0.00 -1.01 0.00 0.00 37.83 33.64 2ju3 s LYS 99 CO 0.23 -0.42 -0.09 0.45 0.51 0.00 0.00 175.35 176.03 2ju3 s SER 100 N 1.36 4.03 -0.11 2.83 0.15 0.28 0.95 113.70 123.19 2ju3 s SER 100 Ca 0.00 -0.75 -0.04 0.00 0.70 0.00 0.00 55.95 55.86 2ju3 s SER 100 Cb -0.17 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2ju3 s SER 100 CO -0.03 -0.08 0.06 0.68 1.20 0.00 0.00 173.24 175.08 2ju3 s VAL 101 N 1.33 4.84 -0.03 4.45 -7.23 0.29 0.00 120.40 124.05 2ju3 s VAL 101 Ca 0.02 -0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.19 2ju3 s VAL 101 Cb -0.15 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 2ju3 s VAL 101 CO -0.06 0.60 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.25 2ju3 s THR 102 N -0.80 1.45 0.01 5.32 2.01 0.24 0.35 115.64 124.22 2ju3 s THR 102 Ca 0.13 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2ju3 s THR 102 Cb -0.12 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2ju3 s THR 102 CO 0.03 0.41 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.51 2ju3 s GLU 103 N -0.14 1.15 -0.37 4.92 2.12 0.17 -1.53 118.70 125.03 2ju3 s GLU 103 Ca 0.00 -0.68 -0.14 0.00 0.36 0.00 0.00 54.97 54.52 2ju3 s GLU 103 Cb -0.10 -1.16 0.00 0.00 0.26 0.00 0.00 34.13 33.14 2ju3 s GLU 103 CO 0.01 0.30 0.26 0.12 -0.54 0.00 0.00 175.26 175.42 2ju3 s PHE 104 N -0.59 3.23 0.23 5.30 2.19 -1.18 -0.55 117.98 126.61 2ju3 s PHE 104 Ca 0.05 -0.42 0.07 0.00 0.33 0.00 0.00 56.93 56.95 2ju3 s PHE 104 Cb -0.07 -2.52 -0.04 0.00 -1.31 0.00 0.00 43.02 39.08 2ju3 s PHE 104 CO 0.00 -0.48 0.16 1.21 1.83 0.00 0.00 175.22 177.95 2ju3 s ASN 105 N 1.69 5.42 -0.86 6.13 2.47 0.80 -4.80 114.94 125.79 2ju3 s ASN 105 Ca 0.05 -0.26 -0.29 0.00 0.42 0.00 0.00 52.86 52.78 2ju3 s ASN 105 Cb -0.18 -1.35 -0.18 0.00 -1.45 0.00 0.00 41.25 38.08 2ju3 s ASN 105 CO 0.10 -0.01 2.62 0.61 -3.72 0.00 0.00 177.10 176.70 2ju3 n GLY 106 N -0.93 -0.31 2.71 1.21 0.00 -1.26 0.08 105.19 106.68 2ju3 n GLY 106 Ca -0.08 1.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.82 2ju3 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ju3 n ASP 107 N 11.97 -5.54 -4.20 1.61 8.00 -1.26 -4.95 116.55 122.19 2ju3 n ASP 107 Ca 0.58 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 56.26 2ju3 n ASP 107 Cb 0.17 -4.16 -0.10 0.00 -0.02 0.00 0.00 41.12 37.01 2ju3 n ASP 107 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ju3 s THR 108 N -2.13 0.95 -0.06 -3.53 -4.23 0.11 -2.36 115.64 104.40 2ju3 s THR 108 Ca 0.00 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 2ju3 s THR 108 Cb 0.00 -1.59 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 2ju3 s THR 108 CO 0.00 -0.69 -0.24 -0.63 -0.54 0.00 0.00 174.62 172.52 2ju3 s ILE 109 N -3.00 2.14 -0.34 2.99 1.01 0.24 -0.14 121.20 124.10 2ju3 s ILE 109 Ca 0.10 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 2ju3 s ILE 109 Cb 0.01 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.73 2ju3 s ILE 109 CO -0.01 0.57 0.12 -0.89 0.00 0.00 0.00 174.94 174.73 2ju3 s THR 110 N -0.17 3.93 -0.29 2.92 2.01 0.29 0.11 115.64 124.44 2ju3 s THR 110 Ca -0.03 -1.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 2ju3 s THR 110 Cb -0.14 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 2ju3 s THR 110 CO 0.04 -0.17 0.12 0.21 -0.69 0.00 0.00 174.62 174.13 2ju3 s ASN 111 N 1.43 5.41 -0.29 3.53 3.04 0.32 0.45 114.94 128.84 2ju3 s ASN 111 Ca -0.01 -0.40 -0.01 0.00 0.04 0.00 0.00 52.86 52.48 2ju3 s ASN 111 Cb -0.19 -1.97 0.05 0.00 -1.54 0.00 0.00 41.25 37.59 2ju3 s ASN 111 CO 0.03 -0.13 -0.02 -0.89 -3.04 0.00 0.00 177.10 173.05 2ju3 s THR 112 N 1.61 2.87 -0.10 -5.21 2.01 0.15 0.12 115.64 117.10 2ju3 s THR 112 Ca 0.05 -1.39 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 2ju3 s THR 112 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 2ju3 s THR 112 CO 0.05 -0.07 0.05 -0.32 -0.69 0.00 0.00 174.62 173.64 2ju3 s MET 113 N 1.24 3.20 -0.16 4.92 0.00 0.32 0.11 119.30 128.92 2ju3 s MET 113 Ca -0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 55.69 55.33 2ju3 s MET 113 Cb -0.20 -2.95 0.04 0.00 0.00 0.00 0.00 34.83 31.72 2ju3 s MET 113 CO -0.02 0.71 -0.08 0.99 0.00 0.00 0.00 175.02 176.62 2ju3 s THR 114 N -0.87 1.27 -0.39 10.11 2.01 0.27 0.91 115.64 128.94 2ju3 s THR 114 Ca 0.13 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 2ju3 s THR 114 Cb -0.12 -1.36 0.08 0.00 0.01 0.00 0.00 72.50 71.11 2ju3 s THR 114 CO 0.03 0.23 0.20 -0.22 -0.69 0.00 0.00 174.62 174.17 2ju3 s LEU 115 N 1.58 4.94 0.00 4.42 0.20 0.12 0.32 118.68 130.26 2ju3 s LEU 115 Ca 0.02 -1.54 0.00 0.00 0.69 0.00 0.00 54.13 53.30 2ju3 s LEU 115 Cb -0.15 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 43.70 2ju3 s LEU 115 CO -0.08 -0.48 0.00 0.61 -0.29 0.00 0.00 176.35 176.10 2ju3 n GLY 116 N 4.81 0.47 0.09 7.98 0.00 -1.26 -0.03 105.19 117.25 2ju3 n GLY 116 Ca -0.09 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 2.28 0.76 -4.77 1.61 -0.08 -1.26 -4.92 116.55 110.17 2ju3 n ASP 117 Ca 0.00 0.23 -0.39 0.00 -1.51 0.00 0.00 54.79 53.13 2ju3 n ASP 117 Cb 0.00 0.20 -0.06 0.00 2.34 0.00 0.00 41.12 43.60 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 -2.55 4.94 -0.03 5.18 -4.36 0.96 -5.07 121.20 120.26 2ju3 s ILE 118 Ca -0.10 1.16 0.02 0.00 -0.26 0.00 0.00 60.65 61.48 2ju3 s ILE 118 Cb 0.07 -3.89 -0.03 0.00 1.25 0.00 0.00 42.46 39.86 2ju3 s ILE 118 CO 0.81 0.44 -0.07 0.54 0.24 0.00 0.00 174.94 176.90 2ju3 s VAL 119 N -0.26 3.67 -0.13 8.37 0.11 -1.26 0.14 120.40 131.04 2ju3 s VAL 119 Ca 0.29 -0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 58.70 2ju3 s VAL 119 Cb -0.18 -2.55 0.04 0.00 -1.53 0.00 0.00 36.38 32.17 2ju3 s VAL 119 CO 0.16 0.50 0.03 -0.47 -3.33 0.00 0.00 175.10 171.99 2ju3 s TYR 120 N -0.90 0.70 -0.01 1.54 5.04 0.26 -4.61 117.35 119.37 2ju3 s TYR 120 Ca 0.15 -0.42 0.05 0.00 -2.44 0.00 0.00 57.07 54.41 2ju3 s TYR 120 Cb -0.11 -0.85 -0.03 0.00 0.35 0.00 0.00 41.96 41.32 2ju3 s TYR 120 CO 0.04 -0.45 -0.15 0.21 -1.34 0.00 0.00 175.55 173.86 2ju3 s LYS 121 N 1.96 2.35 0.02 4.97 2.36 -0.77 0.12 119.74 130.75 2ju3 s LYS 121 Ca 0.02 -0.80 0.01 0.00 -2.55 0.00 0.00 55.97 52.65 2ju3 s LYS 121 Cb -0.15 -2.32 -0.01 0.00 -1.05 0.00 0.00 37.83 34.31 2ju3 s LYS 121 CO -0.07 0.59 -0.04 1.03 1.55 0.00 0.00 175.35 178.42 2ju3 s ARG 122 N -1.02 0.32 -0.22 4.03 0.52 0.12 0.50 118.95 123.20 2ju3 s ARG 122 Ca 0.13 -0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2ju3 s ARG 122 Cb -0.11 -0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.25 2ju3 s ARG 122 CO 0.03 0.02 -0.12 0.08 0.02 0.00 0.00 175.30 175.33 2ju3 s VAL 123 N -0.84 2.56 -0.12 3.52 1.01 0.45 0.12 120.40 127.11 2ju3 s VAL 123 Ca -0.07 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 2ju3 s VAL 123 Cb -0.06 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2ju3 s VAL 123 CO -0.00 0.33 0.17 -0.44 0.00 0.00 0.00 175.10 175.16 2ju3 s SER 124 N 1.31 6.42 0.04 3.32 0.01 0.31 0.56 113.70 125.67 2ju3 s SER 124 Ca 0.02 0.50 0.08 0.00 1.31 0.00 0.00 55.95 57.86 2ju3 s SER 124 Cb -0.15 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2ju3 s SER 124 CO -0.08 0.38 -0.23 -0.75 0.41 0.00 0.00 173.24 172.97 2ju3 s LYS 125 N -0.90 1.57 0.47 12.44 2.36 0.13 0.79 119.74 136.59 2ju3 s LYS 125 Ca 0.15 -1.01 -0.23 0.00 -2.55 0.00 0.00 55.97 52.34 2ju3 s LYS 125 Cb -0.12 -1.71 -0.07 0.00 -1.05 0.00 0.00 37.83 34.88 2ju3 s LYS 125 CO 0.04 0.44 1.20 0.50 1.55 0.00 0.00 175.35 179.09 2ju3 s ARG 126 N -1.18 3.69 0.00 4.03 3.52 -0.99 -0.09 118.95 127.92 2ju3 s ARG 126 Ca 0.09 1.87 0.24 0.00 -0.13 0.00 0.00 55.73 57.81 2ju3 s ARG 126 Cb -0.09 -2.42 0.29 0.00 -1.56 0.00 0.00 34.95 31.17 2ju3 s ARG 126 CO 0.02 -0.64 1.32 0.44 -0.81 0.00 0.00 175.30 175.63