#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 5.24 0.07 3.17 2.47 -1.26 -4.97 114.94 119.66 2ju3 s ASN 2 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.23 2ju3 s ASN 2 Cb 0.00 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.90 2ju3 s ASN 2 CO 0.00 0.12 0.00 0.49 -3.72 0.00 0.00 177.10 173.99 2ju3 n PHE 3 N 3.86 -0.07 -1.93 0.43 3.01 -1.26 -5.10 117.46 116.40 2ju3 n PHE 3 Ca -0.17 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.31 2ju3 n PHE 3 Cb 0.52 0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 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 -3.11 -8.57 0.00 4.37 3.41 -1.23 -4.96 113.62 103.52 2ju3 n SER 4 Ca 0.00 1.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.89 2ju3 n SER 4 Cb 0.00 -4.78 0.00 0.00 -0.26 0.00 0.00 64.21 59.17 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 1.57 -1.36 3.88 5.00 0.00 0.19 -4.94 105.19 109.53 2ju3 n GLY 5 Ca 0.00 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.99 3.51 -0.12 1.61 2.47 -1.26 0.28 119.74 124.24 2ju3 s LYS 6 Ca 0.00 -0.12 -0.02 0.00 -1.56 0.00 0.00 55.97 54.28 2ju3 s LYS 6 Cb 0.00 -3.14 0.04 0.00 -1.46 0.00 0.00 37.83 33.27 2ju3 s LYS 6 CO 0.00 0.71 -0.01 0.71 0.16 0.00 0.00 175.35 176.93 2ju3 s TYR 7 N -1.17 1.01 -0.16 4.03 1.51 0.40 -2.39 117.35 120.57 2ju3 s TYR 7 Ca 0.22 -0.55 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 2ju3 s TYR 7 Cb -0.13 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 2ju3 s TYR 7 CO 0.11 -0.47 0.52 1.14 -1.11 0.00 0.00 175.55 175.75 2ju3 s GLN 8 N 1.86 4.26 0.42 -0.62 -2.07 0.10 0.02 119.66 123.64 2ju3 s GLN 8 Ca 0.03 0.47 -0.26 0.00 -1.82 0.00 0.00 55.36 53.78 2ju3 s GLN 8 Cb -0.14 -3.51 -0.08 0.00 -1.09 0.00 0.00 33.01 28.19 2ju3 s GLN 8 CO -0.07 -0.03 1.33 0.08 -1.32 0.00 0.00 175.29 175.29 2ju3 s VAL 9 N 1.22 2.47 0.08 3.63 1.01 -0.33 0.71 120.40 129.20 2ju3 s VAL 9 Ca 0.26 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2ju3 s VAL 9 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2ju3 s VAL 9 CO 0.10 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.26 2ju3 n GLN 10 N -0.01 0.00 -3.93 2.72 1.13 0.29 -4.54 117.38 113.04 2ju3 n GLN 10 Ca 0.04 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.80 2ju3 n GLN 10 Cb 0.43 -0.31 -0.04 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 -5.58 6.30 0.07 1.08 0.15 -0.47 -4.91 113.70 110.35 2ju3 s SER 11 Ca 0.00 0.24 -0.12 0.00 0.70 0.00 0.00 55.95 56.77 2ju3 s SER 11 Cb 0.00 -1.92 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 2ju3 s SER 11 CO 0.00 0.15 0.27 -1.10 1.20 0.00 0.00 173.24 173.76 2ju3 s GLN 12 N -2.60 0.86 0.04 5.44 -0.21 -1.26 0.19 119.66 122.11 2ju3 s GLN 12 Ca 0.35 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 55.04 2ju3 s GLN 12 Cb -0.13 0.36 -0.02 0.00 1.00 0.00 0.00 33.01 34.23 2ju3 s GLN 12 CO 0.28 -0.28 -0.11 -1.21 -2.12 0.00 0.00 175.29 171.84 2ju3 s GLU 13 N -3.26 0.74 -1.46 2.91 2.02 0.14 -4.81 118.70 114.96 2ju3 s GLU 13 Ca 0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.19 2ju3 s GLU 13 Cb 0.02 -0.67 0.05 0.00 0.10 0.00 0.00 34.13 33.62 2ju3 s GLU 13 CO -0.08 0.16 0.85 0.09 0.02 0.00 0.00 175.26 176.30 2ju3 n ASN 14 N 1.86 -5.26 -0.09 -0.19 3.02 -1.26 -1.46 115.26 111.88 2ju3 n ASN 14 Ca -0.19 -0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 53.68 2ju3 n ASN 14 Cb 0.55 -4.22 -0.04 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.85 0.94 0.92 3.10 3.04 -1.89 -3.04 116.94 118.16 2ju3 h PHE 15 Ca -0.54 -0.30 -0.05 0.00 3.98 0.00 0.00 57.97 61.06 2ju3 h PHE 15 Cb 1.36 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 39.69 2ju3 h PHE 15 CO 0.57 1.08 -0.44 0.93 -2.02 0.00 0.00 178.31 178.42 2ju3 h GLU 16 N 0.52 -1.19 -0.13 1.11 5.08 -1.89 -1.52 114.58 116.56 2ju3 h GLU 16 Ca 0.04 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2ju3 h GLU 16 Cb 0.96 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2ju3 h GLU 16 CO 0.09 -0.80 0.10 -1.00 -1.00 0.00 0.00 179.01 176.41 2ju3 h PRO 17 N -1.24 0.00 0.04 2.33 0.13 -1.97 1.42 132.00 132.70 2ju3 h PRO 17 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2ju3 h PRO 17 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2ju3 h PRO 17 CO 0.21 0.00 -0.02 0.35 -0.23 0.00 0.00 178.00 178.31 2ju3 h PHE 18 N 0.00 -0.05 -0.10 1.56 3.57 -1.40 -1.53 116.94 118.99 2ju3 h PHE 18 Ca 0.06 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 2ju3 h PHE 18 Cb 0.27 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2ju3 h PHE 18 CO 0.00 0.57 -0.41 0.52 -2.23 0.00 0.00 178.31 176.76 2ju3 h MET 19 N -0.72 0.23 -0.16 1.11 2.86 -0.31 0.15 114.93 118.09 2ju3 h MET 19 Ca -0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2ju3 h MET 19 Cb 0.64 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2ju3 h MET 19 CO 0.01 0.60 0.10 0.87 1.06 0.00 0.00 176.91 179.55 2ju3 h LYS 20 N 0.19 0.20 0.00 1.72 1.57 0.19 0.63 116.57 121.06 2ju3 h LYS 20 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ju3 h LYS 20 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ju3 h LYS 20 CO 0.06 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 2ju3 h ALA 21 N 1.07 1.00 0.00 3.86 0.00 -1.05 0.62 119.26 124.75 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 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ju3 h ALA 21 CO -0.02 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.90 2ju3 n MET 22 N -2.75 0.01 0.00 0.00 2.81 0.02 -4.87 117.12 112.34 2ju3 n MET 22 Ca 0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2ju3 n MET 22 Cb 0.31 -1.51 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 1.35 1.18 3.71 3.03 0.00 0.20 -5.03 105.19 109.63 2ju3 n GLY 23 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 4.28 0.39 0.99 2.96 0.20 -4.97 118.68 122.53 2ju3 s LEU 24 Ca 0.00 1.00 -0.26 0.00 -0.22 0.00 0.00 54.13 54.66 2ju3 s LEU 24 Cb 0.00 -2.92 -0.09 0.00 0.50 0.00 0.00 46.19 43.69 2ju3 s LEU 24 CO 0.00 -0.10 1.19 -2.16 -1.32 0.00 0.00 176.35 173.96 2ju3 s PRO 25 N 0.90 4.09 0.55 0.98 0.04 -1.26 -4.01 135.00 136.29 2ju3 s PRO 25 Ca 0.32 1.89 0.26 0.00 0.04 0.00 0.00 61.00 63.52 2ju3 s PRO 25 Cb -0.16 -2.74 1.44 0.00 0.04 0.00 0.00 34.50 33.08 2ju3 s PRO 25 CO 0.14 -0.30 1.99 1.49 0.04 0.00 0.00 177.00 180.36 2ju3 h GLU 26 N 2.75 0.00 -0.45 4.56 4.81 -1.96 0.70 114.58 124.99 2ju3 h GLU 26 Ca -0.49 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 2ju3 h GLU 26 Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2ju3 h GLU 26 CO 0.63 0.00 0.07 0.38 -0.73 0.00 0.00 179.01 179.36 2ju3 h ASP 27 N 0.00 0.72 0.56 1.04 3.04 -1.99 0.37 116.42 120.16 2ju3 h ASP 27 Ca 0.24 -0.26 -0.17 0.00 -3.24 0.00 0.00 57.03 53.60 2ju3 h ASP 27 Cb 1.01 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 39.09 2ju3 h ASP 27 CO -0.00 0.80 -0.74 -0.07 -2.04 0.00 0.00 179.24 177.19 2ju3 h LEU 28 N 0.61 0.17 -0.22 0.15 3.38 -1.04 -2.98 115.31 115.39 2ju3 h LEU 28 Ca 0.14 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2ju3 h LEU 28 Cb 0.39 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2ju3 h LEU 28 CO 0.01 0.85 0.08 0.40 0.09 0.00 0.00 178.44 179.86 2ju3 h ILE 29 N 0.09 0.95 0.00 1.22 1.08 0.60 0.18 117.51 121.63 2ju3 h ILE 29 Ca -0.02 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 2ju3 h ILE 29 Cb 1.30 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 2ju3 h ILE 29 CO 0.11 0.03 -0.19 1.56 -0.69 0.00 0.00 178.15 178.97 2ju3 h GLN 30 N 0.18 0.00 0.01 2.37 1.08 -0.23 0.31 115.11 118.83 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 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2ju3 h GLN 30 CO -0.10 0.19 -0.00 0.87 -0.95 0.00 0.00 178.83 178.84 2ju3 h LYS 31 N 0.00 -0.01 0.00 1.46 1.57 -1.29 -3.28 116.57 115.03 2ju3 h LYS 31 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2ju3 h LYS 31 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2ju3 h LYS 31 CO 0.02 0.73 -0.06 0.78 -0.57 0.00 0.00 179.45 180.35 2ju3 h GLY 32 N -0.97 0.00 2.00 3.86 0.00 -0.51 -2.77 103.07 104.67 2ju3 h GLY 32 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ju3 h GLY 32 CO 0.00 0.00 -0.03 1.70 0.00 0.00 0.00 176.54 178.22 2ju3 h LYS 33 N 0.00 0.00 0.00 4.80 3.64 -0.44 -1.51 116.57 123.06 2ju3 h LYS 33 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ju3 h LYS 33 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2ju3 h LYS 33 CO 0.01 0.03 -0.64 0.22 -2.27 0.00 0.00 179.45 176.80 2ju3 h ASP 34 N 0.00 0.00 -3.34 4.20 3.58 -1.62 -3.43 116.42 115.81 2ju3 h ASP 34 Ca -0.00 -0.05 -0.59 0.00 0.42 0.00 0.00 57.03 56.81 2ju3 h ASP 34 Cb 0.09 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.06 2ju3 h ASP 34 CO 0.00 0.02 0.60 -0.63 -2.88 0.00 0.00 179.24 176.36 2ju3 s ILE 35 N -3.27 4.69 -0.20 2.25 1.09 -0.57 -4.86 121.20 120.33 2ju3 s ILE 35 Ca 0.03 1.50 0.13 0.00 -1.10 0.00 0.00 60.65 61.22 2ju3 s ILE 35 Cb 0.09 -4.25 -0.21 0.00 -1.06 0.00 0.00 42.46 37.03 2ju3 s ILE 35 CO 0.74 -0.30 -0.01 0.29 -0.10 0.00 0.00 174.94 175.56 2ju3 n LYS 36 N 6.41 0.82 0.00 2.79 4.01 -1.26 -4.83 118.16 126.10 2ju3 n LYS 36 Ca 0.08 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2ju3 n LYS 36 Cb 0.47 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 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 1.96 -1.54 3.65 0.72 0.00 -1.26 -4.53 105.19 104.19 2ju3 n GLY 37 Ca -0.34 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.26 4.45 0.09 1.61 1.01 -1.26 -1.19 120.40 122.85 2ju3 s VAL 38 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.89 2ju3 s VAL 38 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2ju3 s VAL 38 CO 0.00 0.55 -0.19 -0.44 0.00 0.00 0.00 175.10 175.02 2ju3 s SER 39 N -0.38 3.77 -0.11 3.32 0.01 0.10 -1.93 113.70 118.48 2ju3 s SER 39 Ca 0.08 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.83 2ju3 s SER 39 Cb -0.12 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.59 2ju3 s SER 39 CO 0.02 0.21 -0.20 -0.70 0.41 0.00 0.00 173.24 172.98 2ju3 s GLU 40 N -1.85 2.66 -0.21 12.44 2.12 0.19 0.15 118.70 134.20 2ju3 s GLU 40 Ca 0.16 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.77 2ju3 s GLU 40 Cb -0.10 -2.13 0.05 0.00 0.26 0.00 0.00 34.13 32.20 2ju3 s GLU 40 CO 0.08 0.03 -0.09 0.42 -0.54 0.00 0.00 175.26 175.16 2ju3 s ILE 41 N 0.72 1.59 -0.19 -3.70 -1.09 0.14 -0.42 121.20 118.25 2ju3 s ILE 41 Ca -0.11 -1.04 -0.00 0.00 -2.23 0.00 0.00 60.65 57.26 2ju3 s ILE 41 Cb -0.16 -1.72 0.05 0.00 -1.58 0.00 0.00 42.46 39.05 2ju3 s ILE 41 CO 0.02 0.10 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.08 2ju3 s VAL 42 N 1.41 1.26 -0.35 2.92 1.01 -0.80 0.53 120.40 126.36 2ju3 s VAL 42 Ca -0.02 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 2ju3 s VAL 42 Cb -0.17 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.78 2ju3 s VAL 42 CO -0.08 0.06 0.16 -2.28 0.00 0.00 0.00 175.10 172.97 2ju3 s HIS 43 N 1.55 3.24 -0.44 5.22 5.04 -1.26 0.93 115.29 129.58 2ju3 s HIS 43 Ca -0.01 -1.08 -0.13 0.00 -1.54 0.00 0.00 55.06 52.29 2ju3 s HIS 43 Cb -0.16 -2.37 0.06 0.00 0.04 0.00 0.00 32.58 30.14 2ju3 s HIS 43 CO -0.07 -0.66 0.32 -2.00 -2.34 0.00 0.00 174.74 169.99 2ju3 s GLU 44 N 1.51 2.88 2.58 2.88 -6.30 0.31 -4.82 118.70 117.73 2ju3 s GLU 44 Ca 0.01 -1.27 0.00 0.00 -2.50 0.00 0.00 54.97 51.21 2ju3 s GLU 44 Cb -0.19 -3.98 0.00 0.00 0.00 0.00 0.00 34.13 29.96 2ju3 s GLU 44 CO 0.05 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.83 2ju3 n GLY 45 N 5.11 0.28 0.15 -1.50 0.00 -1.26 -0.75 105.19 107.22 2ju3 n GLY 45 Ca -0.12 0.67 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 0.59 -2.34 1.61 4.01 -1.26 -4.98 118.16 115.78 2ju3 n LYS 46 Ca 0.00 0.21 -0.41 0.00 -0.51 0.00 0.00 58.31 57.59 2ju3 n LYS 46 Cb 0.00 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.02 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 -2.49 4.45 -0.09 1.97 1.02 0.07 -2.06 119.74 122.60 2ju3 s LYS 47 Ca -0.36 1.89 0.04 0.00 0.02 0.00 0.00 55.97 57.57 2ju3 s LYS 47 Cb 0.12 -3.26 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2ju3 s LYS 47 CO 0.51 -0.18 -0.23 0.08 -0.92 0.00 0.00 175.35 174.62 2ju3 s VAL 48 N 0.31 2.17 0.01 3.17 1.01 0.25 0.11 120.40 127.43 2ju3 s VAL 48 Ca 0.56 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 2ju3 s VAL 48 Cb -0.33 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 2ju3 s VAL 48 CO 0.35 0.56 0.57 -0.75 0.00 0.00 0.00 175.10 175.82 2ju3 s LYS 49 N 0.22 4.26 -0.17 2.72 2.20 0.27 -1.47 119.74 127.77 2ju3 s LYS 49 Ca -0.15 0.70 -0.00 0.00 -0.36 0.00 0.00 55.97 56.16 2ju3 s LYS 49 Cb -0.17 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2ju3 s LYS 49 CO 0.07 0.46 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.95 2ju3 s LEU 50 N -0.47 1.66 -0.27 5.43 1.02 0.13 -1.91 118.68 124.27 2ju3 s LEU 50 Ca 0.30 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.73 2ju3 s LEU 50 Cb -0.18 -0.95 0.01 0.00 0.02 0.00 0.00 46.19 45.09 2ju3 s LEU 50 CO 0.17 -0.17 0.02 -0.89 0.02 0.00 0.00 176.35 175.50 2ju3 s THR 51 N 1.61 3.59 -0.07 5.49 2.01 0.44 -0.83 115.64 127.88 2ju3 s THR 51 Ca 0.01 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2ju3 s THR 51 Cb -0.15 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2ju3 s THR 51 CO -0.08 0.18 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.28 2ju3 s ILE 52 N 1.45 1.15 -0.27 1.82 1.09 0.34 0.57 121.20 127.35 2ju3 s ILE 52 Ca 0.03 -0.48 -0.14 0.00 -1.10 0.00 0.00 60.65 58.96 2ju3 s ILE 52 Cb -0.16 -1.06 -0.04 0.00 -1.06 0.00 0.00 42.46 40.14 2ju3 s ILE 52 CO -0.00 0.36 0.31 -0.89 -0.10 0.00 0.00 174.94 174.62 2ju3 s THR 53 N 0.71 5.22 -0.49 2.92 2.01 -0.82 -0.41 115.64 124.79 2ju3 s THR 53 Ca -0.14 0.44 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 2ju3 s THR 53 Cb -0.16 -3.64 0.13 0.00 0.01 0.00 0.00 72.50 68.84 2ju3 s THR 53 CO 0.03 0.19 0.34 -0.31 -0.69 0.00 0.00 174.62 174.18 2ju3 s TYR 54 N 1.97 3.49 0.00 4.92 2.02 0.25 -4.22 117.35 125.78 2ju3 s TYR 54 Ca 0.12 -2.16 0.00 0.00 -0.37 0.00 0.00 57.07 54.66 2ju3 s TYR 54 Cb -0.16 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.01 2ju3 s TYR 54 CO 0.10 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.53 2ju3 n GLY 55 N 4.56 1.35 0.06 0.71 0.00 -1.26 -0.83 105.19 109.78 2ju3 n GLY 55 Ca -0.03 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 10.95 1.09 -4.82 1.61 3.41 -1.26 -4.95 113.62 119.65 2ju3 n SER 56 Ca 0.00 -1.05 -0.38 0.00 -0.26 0.00 0.00 58.87 57.18 2ju3 n SER 56 Cb 0.00 0.94 -0.06 0.00 -0.26 0.00 0.00 64.21 64.83 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 -2.88 4.11 -0.15 4.33 2.47 -0.01 -5.07 119.74 122.54 2ju3 s LYS 57 Ca 0.09 0.63 0.00 0.00 -1.56 0.00 0.00 55.97 55.13 2ju3 s LYS 57 Cb 0.16 -3.19 0.03 0.00 -1.46 0.00 0.00 37.83 33.37 2ju3 s LYS 57 CO 0.81 0.63 -0.11 0.08 0.16 0.00 0.00 175.35 176.91 2ju3 s VAL 58 N -1.16 1.44 -0.19 4.02 1.01 -1.26 0.84 120.40 125.10 2ju3 s VAL 58 Ca 0.29 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2ju3 s VAL 58 Cb -0.18 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2ju3 s VAL 58 CO 0.18 0.35 -0.02 -0.63 0.00 0.00 0.00 175.10 174.98 2ju3 s ILE 59 N 1.52 3.80 -0.19 2.22 1.01 0.46 -4.96 121.20 125.05 2ju3 s ILE 59 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 2ju3 s ILE 59 Cb -0.14 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.64 2ju3 s ILE 59 CO -0.09 0.44 -0.16 -2.28 0.00 0.00 0.00 174.94 172.85 2ju3 s HIS 60 N 0.94 2.84 -0.02 3.97 2.46 -1.26 -0.50 115.29 123.71 2ju3 s HIS 60 Ca 0.01 -1.52 -0.04 0.00 0.47 0.00 0.00 55.06 53.97 2ju3 s HIS 60 Cb -0.14 -1.96 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 2ju3 s HIS 60 CO 0.01 -0.75 0.10 -0.80 -2.47 0.00 0.00 174.74 170.83 2ju3 s ASN 61 N 1.33 -0.02 -0.00 9.88 0.01 -0.01 -4.93 114.94 121.19 2ju3 s ASN 61 Ca 0.05 -0.02 0.07 0.00 -0.71 0.00 0.00 52.86 52.25 2ju3 s ASN 61 Cb -0.14 0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.71 2ju3 s ASN 61 CO -0.10 -0.19 -0.22 -0.70 -1.51 0.00 0.00 177.10 174.37 2ju3 s GLU 62 N -0.64 1.75 0.02 -0.60 2.12 -1.26 0.18 118.70 120.27 2ju3 s GLU 62 Ca -0.07 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 54.41 2ju3 s GLU 62 Cb -0.04 -1.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.60 2ju3 s GLU 62 CO 0.00 0.47 -0.02 -0.59 -0.54 0.00 0.00 175.26 174.58 2ju3 s PHE 63 N -0.59 0.20 -0.17 5.30 -0.12 -0.54 -4.75 117.98 117.31 2ju3 s PHE 63 Ca 0.09 -0.41 -0.08 0.00 -0.05 0.00 0.00 56.93 56.47 2ju3 s PHE 63 Cb -0.09 -0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.11 2ju3 s PHE 63 CO -0.00 -0.15 0.12 0.99 -0.05 0.00 0.00 175.22 176.12 2ju3 s THR 64 N -1.16 5.31 -0.01 -4.49 2.01 -1.26 0.86 115.64 116.90 2ju3 s THR 64 Ca -0.13 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 2ju3 s THR 64 Cb -0.08 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 2ju3 s THR 64 CO -0.01 0.50 1.60 -0.76 -0.69 0.00 0.00 174.62 175.27 2ju3 s LEU 65 N -0.11 4.33 0.00 4.42 2.01 -0.87 -2.58 118.68 125.88 2ju3 s LEU 65 Ca 0.10 2.27 0.00 0.00 0.01 0.00 0.00 54.13 56.51 2ju3 s LEU 65 Cb -0.11 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.54 2ju3 s LEU 65 CO 0.00 -0.87 0.00 0.61 1.01 0.00 0.00 176.35 177.10 2ju3 n GLY 66 N 3.99 1.16 3.42 -3.19 0.00 0.11 -4.88 105.19 105.82 2ju3 n GLY 66 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.19 2.10 -0.22 1.61 2.12 -1.06 -4.95 118.70 118.10 2ju3 s GLU 67 Ca 0.00 -0.95 -0.29 0.00 0.36 0.00 0.00 54.97 54.09 2ju3 s GLU 67 Cb 0.00 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 2ju3 s GLU 67 CO 0.00 0.55 1.59 -2.00 -0.54 0.00 0.00 175.26 174.86 2ju3 s GLU 68 N -1.20 3.81 0.23 4.30 -6.30 -1.26 -4.19 118.70 114.08 2ju3 s GLU 68 Ca 0.13 1.63 0.10 0.00 -2.50 0.00 0.00 54.97 54.34 2ju3 s GLU 68 Cb -0.10 -4.02 -0.05 0.00 0.00 0.00 0.00 34.13 29.96 2ju3 s GLU 68 CO 0.03 -1.27 -0.19 0.00 0.02 0.00 0.00 175.26 173.85 2ju3 s GLU 70 N -3.23 3.45 -0.08 0.00 2.02 -1.26 0.13 118.70 119.73 2ju3 s GLU 70 Ca 0.24 -0.15 0.04 0.00 0.02 0.00 0.00 54.97 55.12 2ju3 s GLU 70 Cb -0.05 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.00 2ju3 s GLU 70 CO 0.11 0.75 -0.20 -1.17 0.02 0.00 0.00 175.26 174.77 2ju3 s LEU 71 N -0.95 1.93 -0.25 1.80 1.98 0.18 -4.80 118.68 118.57 2ju3 s LEU 71 Ca 0.15 -0.46 -0.01 0.00 -2.89 0.00 0.00 54.13 50.92 2ju3 s LEU 71 Cb -0.12 -1.18 0.03 0.00 0.66 0.00 0.00 46.19 45.58 2ju3 s LEU 71 CO 0.04 0.12 -0.06 -0.70 -1.89 0.00 0.00 176.35 173.85 2ju3 s GLU 72 N 0.40 2.80 0.00 1.98 -6.30 -1.26 -0.15 118.70 116.17 2ju3 s GLU 72 Ca -0.16 -1.00 0.00 0.00 -2.50 0.00 0.00 54.97 51.32 2ju3 s GLU 72 Cb -0.17 -2.98 0.00 0.00 0.00 0.00 0.00 34.13 30.98 2ju3 s GLU 72 CO 0.06 -0.41 0.00 0.25 0.02 0.00 0.00 175.26 175.19 2ju3 n THR 73 N 4.66 0.00 1.23 -1.70 -2.24 -1.26 -4.74 114.28 110.23 2ju3 n THR 73 Ca -0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 2ju3 n THR 73 Cb 0.47 1.21 0.63 0.00 -2.10 0.00 0.00 70.33 70.53 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 0.00 0.47 -1.92 -0.78 0.00 -1.26 -4.81 117.12 108.83 2ju3 n MET 74 Ca 0.00 0.05 -0.06 0.00 -0.00 0.00 0.00 57.70 57.69 2ju3 n MET 74 Cb 0.20 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 31.91 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 -1.19 -0.22 0.00 1.12 -2.24 -1.26 -4.53 114.28 105.96 2ju3 n THR 75 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2ju3 n THR 75 Cb 0.15 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 -1.27 -1.71 3.62 3.38 0.00 -1.26 -5.11 105.19 102.85 2ju3 n GLY 76 Ca -0.07 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.81 0.01 1.61 2.12 -1.26 -4.95 118.70 120.05 2ju3 s GLU 77 Ca 0.00 1.13 -0.07 0.00 0.36 0.00 0.00 54.97 56.38 2ju3 s GLU 77 Cb 0.00 -3.92 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 2ju3 s GLU 77 CO 0.00 -1.25 0.29 0.21 -0.54 0.00 0.00 175.26 173.96 2ju3 s LYS 78 N 4.39 3.62 -0.03 4.30 2.36 -1.26 -3.98 119.74 129.14 2ju3 s LYS 78 Ca 0.57 -0.02 0.06 0.00 -2.55 0.00 0.00 55.97 54.04 2ju3 s LYS 78 Cb -0.15 -3.08 -0.01 0.00 -1.05 0.00 0.00 37.83 33.54 2ju3 s LYS 78 CO 0.26 0.64 -0.22 0.54 1.55 0.00 0.00 175.35 178.12 2ju3 s VAL 79 N -1.30 1.78 0.16 4.02 0.11 0.78 -4.85 120.40 121.11 2ju3 s VAL 79 Ca 0.28 -0.95 -0.31 0.00 -2.93 0.00 0.00 61.98 58.06 2ju3 s VAL 79 Cb -0.13 -1.49 -0.10 0.00 -1.53 0.00 0.00 36.38 33.13 2ju3 s VAL 79 CO 0.16 0.50 1.54 -0.54 -3.33 0.00 0.00 175.10 173.43 2ju3 s LYS 80 N -0.39 4.23 0.10 1.54 1.02 -1.26 0.51 119.74 125.50 2ju3 s LYS 80 Ca 0.05 2.32 -0.07 0.00 0.02 0.00 0.00 55.97 58.29 2ju3 s LYS 80 Cb -0.10 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 2ju3 s LYS 80 CO 0.00 -0.57 0.16 0.00 -0.92 0.00 0.00 175.35 174.02 2ju3 s ALA 81 N 1.07 0.05 -0.20 5.17 0.00 0.35 -4.88 121.76 123.31 2ju3 s ALA 81 Ca 0.69 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2ju3 s ALA 81 Cb -0.43 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.30 2ju3 s ALA 81 CO 0.32 -0.52 -0.16 0.08 0.00 0.00 0.00 175.76 175.48 2ju3 s VAL 82 N -3.91 2.23 -0.14 0.00 1.01 -1.26 0.16 120.40 118.48 2ju3 s VAL 82 Ca 0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2ju3 s VAL 82 Cb 0.05 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2ju3 s VAL 82 CO -0.07 0.39 -0.10 0.54 0.00 0.00 0.00 175.10 175.86 2ju3 s VAL 83 N 1.27 3.31 0.16 2.92 0.11 -1.26 -4.39 120.40 122.52 2ju3 s VAL 83 Ca 0.02 -0.56 -0.06 0.00 -2.93 0.00 0.00 61.98 58.44 2ju3 s VAL 83 Cb -0.15 -2.42 -0.02 0.00 -1.53 0.00 0.00 36.38 32.26 2ju3 s VAL 83 CO -0.10 0.51 0.21 -0.75 -3.33 0.00 0.00 175.10 171.64 2ju3 s LYS 84 N 0.43 1.11 0.13 1.54 2.36 -1.15 0.09 119.74 124.24 2ju3 s LYS 84 Ca -0.08 -1.30 -0.30 0.00 -2.55 0.00 0.00 55.97 51.75 2ju3 s LYS 84 Cb -0.15 0.33 -0.06 0.00 -1.05 0.00 0.00 37.83 36.90 2ju3 s LYS 84 CO 0.04 -0.38 0.95 -1.64 1.55 0.00 0.00 175.35 175.87 2ju3 s MET 85 N -4.01 4.71 0.03 4.03 -1.94 -1.26 -0.65 119.30 120.21 2ju3 s MET 85 Ca 0.21 1.43 -0.08 0.00 -1.71 0.00 0.00 55.69 55.55 2ju3 s MET 85 Cb 0.05 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.48 2ju3 s MET 85 CO 0.02 0.27 0.31 -2.00 -0.01 0.00 0.00 175.02 173.61 2ju3 s GLU 86 N -0.20 3.64 -1.15 2.03 2.12 -0.39 -4.85 118.70 119.90 2ju3 s GLU 86 Ca 0.45 0.00 -0.24 0.00 0.36 0.00 0.00 54.97 55.55 2ju3 s GLU 86 Cb -0.24 -3.05 -0.13 0.00 0.26 0.00 0.00 34.13 30.97 2ju3 s GLU 86 CO 0.30 0.62 1.99 0.41 -0.54 0.00 0.00 175.26 178.03 2ju3 n GLY 87 N 1.04 0.61 2.02 -1.50 0.00 -1.26 -3.49 105.19 102.60 2ju3 n GLY 87 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 15.94 -0.28 0.00 1.61 -0.08 -1.26 -5.07 116.55 127.41 2ju3 n ASP 88 Ca 0.44 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 2ju3 n ASP 88 Cb 0.47 0.68 0.00 0.00 2.34 0.00 0.00 41.12 44.61 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 -2.57 0.00 -2.13 1.67 5.03 -1.23 -4.98 115.26 111.06 2ju3 n ASN 89 Ca 0.00 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 2ju3 n ASN 89 Cb 0.00 0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 38.78 2ju3 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2ju3 n LYS 90 N -1.70 0.38 -3.95 3.52 5.02 -1.18 -3.14 118.16 117.10 2ju3 n LYS 90 Ca 0.00 -1.59 -0.29 0.00 -2.02 0.00 0.00 58.31 54.41 2ju3 n LYS 90 Cb 0.00 1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 36.48 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 -2.47 3.33 -0.09 1.97 -1.94 -0.55 -1.26 119.30 118.30 2ju3 s MET 91 Ca 0.17 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.61 2ju3 s MET 91 Cb -0.00 -2.95 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 2ju3 s MET 91 CO 0.12 0.57 -0.12 0.08 -0.01 0.00 0.00 175.02 175.66 2ju3 s VAL 92 N -1.58 3.24 -0.07 -6.03 1.01 0.18 -0.87 120.40 116.27 2ju3 s VAL 92 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2ju3 s VAL 92 Cb -0.12 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2ju3 s VAL 92 CO 0.27 0.56 -0.06 0.28 0.00 0.00 0.00 175.10 176.15 2ju3 s THR 93 N -0.32 0.80 -0.21 3.92 -1.32 0.12 -2.94 115.64 115.69 2ju3 s THR 93 Ca 0.03 -0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 60.22 2ju3 s THR 93 Cb -0.13 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 2ju3 s THR 93 CO 0.03 0.30 0.08 -0.89 -2.21 0.00 0.00 174.62 171.92 2ju3 s THR 94 N 1.27 4.69 -0.09 5.08 2.01 -1.26 -0.66 115.64 126.68 2ju3 s THR 94 Ca -0.05 -0.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 2ju3 s THR 94 Cb -0.14 -3.15 0.04 0.00 0.01 0.00 0.00 72.50 69.27 2ju3 s THR 94 CO -0.02 0.41 0.46 0.72 -0.69 0.00 0.00 174.62 175.49 2ju3 s PHE 95 N 0.86 -0.42 0.00 4.92 -0.71 0.95 -4.41 117.98 119.16 2ju3 s PHE 95 Ca 0.04 0.85 0.00 0.00 -1.04 0.00 0.00 56.93 56.78 2ju3 s PHE 95 Cb -0.14 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 2ju3 s PHE 95 CO 0.02 -0.38 0.00 1.63 -1.34 0.00 0.00 175.22 175.15 2ju3 n LYS 96 N 1.79 -0.89 0.00 1.99 5.02 -1.26 -0.62 118.16 124.19 2ju3 n LYS 96 Ca -0.18 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2ju3 n LYS 96 Cb 0.56 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.28 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 -0.81 2.18 3.88 0.72 0.00 -1.26 -5.07 105.19 104.82 2ju3 n GLY 97 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.60 5.11 -0.18 -0.61 -5.25 0.21 -4.87 121.20 113.01 2ju3 s ILE 98 Ca 0.00 0.35 -0.04 0.00 -0.99 0.00 0.00 60.65 59.96 2ju3 s ILE 98 Cb 0.00 -3.63 -0.03 0.00 2.95 0.00 0.00 42.46 41.75 2ju3 s ILE 98 CO 0.00 0.22 -0.02 -1.59 -1.79 0.00 0.00 174.94 171.76 2ju3 s LYS 99 N -2.12 3.65 -0.07 0.37 0.00 -0.39 -0.04 119.74 121.14 2ju3 s LYS 99 Ca 0.35 -0.52 0.01 0.00 0.00 0.00 0.00 55.97 55.81 2ju3 s LYS 99 Cb -0.13 -3.00 0.02 0.00 0.00 0.00 0.00 37.83 34.72 2ju3 s LYS 99 CO 0.20 0.13 -0.08 -1.12 0.00 0.00 0.00 175.35 174.48 2ju3 s SER 100 N 0.67 1.63 -0.11 0.03 0.01 0.17 0.11 113.70 116.20 2ju3 s SER 100 Ca -0.01 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 56.97 2ju3 s SER 100 Cb -0.14 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.36 2ju3 s SER 100 CO 0.02 -0.05 0.07 0.54 0.41 0.00 0.00 173.24 174.23 2ju3 s VAL 101 N 1.10 4.87 -0.04 3.43 0.11 0.36 0.13 120.40 130.37 2ju3 s VAL 101 Ca -0.07 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2ju3 s VAL 101 Cb -0.14 -3.10 -0.01 0.00 -1.53 0.00 0.00 36.38 31.59 2ju3 s VAL 101 CO -0.01 0.59 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.26 2ju3 s THR 102 N -0.76 1.68 -0.09 5.04 2.01 -0.05 0.40 115.64 123.86 2ju3 s THR 102 Ca 0.13 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2ju3 s THR 102 Cb -0.12 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 70.99 2ju3 s THR 102 CO 0.03 0.47 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.57 2ju3 s GLU 103 N -0.18 2.21 -0.26 4.92 2.12 0.26 -1.48 118.70 126.29 2ju3 s GLU 103 Ca -0.00 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.65 2ju3 s GLU 103 Cb -0.11 -1.80 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 2ju3 s GLU 103 CO 0.02 0.02 0.15 0.12 -0.54 0.00 0.00 175.26 175.03 2ju3 s PHE 104 N 0.73 3.20 0.25 5.30 2.19 -1.19 -0.29 117.98 128.17 2ju3 s PHE 104 Ca -0.12 -0.00 0.09 0.00 0.33 0.00 0.00 56.93 57.23 2ju3 s PHE 104 Cb -0.16 -2.31 -0.04 0.00 -1.31 0.00 0.00 43.02 39.19 2ju3 s PHE 104 CO 0.03 -0.16 -0.03 -0.80 1.83 0.00 0.00 175.22 176.09 2ju3 s ASN 105 N 1.55 4.48 -0.42 6.13 0.02 0.43 -4.68 114.94 122.46 2ju3 s ASN 105 Ca 0.07 -0.64 -0.29 0.00 -1.02 0.00 0.00 52.86 50.99 2ju3 s ASN 105 Cb -0.15 -0.82 -0.08 0.00 0.02 0.00 0.00 41.25 40.22 2ju3 s ASN 105 CO 0.08 0.02 2.34 0.61 0.02 0.00 0.00 177.10 180.17 2ju3 n GLY 106 N -0.70 0.46 2.99 0.66 0.00 -1.26 -1.91 105.19 105.42 2ju3 n GLY 106 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 13.20 -4.23 -4.20 1.61 8.00 -1.26 -4.95 116.55 124.72 2ju3 n ASP 107 Ca 0.38 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 2ju3 n ASP 107 Cb 0.43 -2.65 -0.10 0.00 -0.02 0.00 0.00 41.12 38.77 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 -1.31 0.90 -0.01 -3.53 -4.23 -0.80 -0.51 115.64 106.15 2ju3 s THR 108 Ca 0.00 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2ju3 s THR 108 Cb 0.00 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 2ju3 s THR 108 CO 0.00 -0.77 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.58 2ju3 s ILE 109 N -3.31 0.78 -0.23 2.99 1.01 0.11 -0.43 121.20 122.12 2ju3 s ILE 109 Ca 0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 2ju3 s ILE 109 Cb 0.03 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 2ju3 s ILE 109 CO -0.02 0.21 -0.02 -0.89 0.00 0.00 0.00 174.94 174.21 2ju3 s THR 110 N -0.26 3.45 -0.26 2.92 2.01 0.61 0.90 115.64 125.01 2ju3 s THR 110 Ca 0.04 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 2ju3 s THR 110 Cb -0.04 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2ju3 s THR 110 CO -0.00 0.36 0.09 0.21 -0.69 0.00 0.00 174.62 174.59 2ju3 s ASN 111 N 1.48 5.24 -0.28 3.53 3.84 0.38 0.90 114.94 130.03 2ju3 s ASN 111 Ca 0.05 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 52.92 2ju3 s ASN 111 Cb -0.15 -1.95 0.05 0.00 -0.55 0.00 0.00 41.25 38.66 2ju3 s ASN 111 CO -0.02 -0.04 -0.06 -0.89 -2.79 0.00 0.00 177.10 173.30 2ju3 s THR 112 N 1.63 2.61 -0.11 -5.21 2.01 0.16 0.02 115.64 116.75 2ju3 s THR 112 Ca 0.06 -1.47 -0.05 0.00 0.31 0.00 0.00 61.69 60.54 2ju3 s THR 112 Cb -0.15 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2ju3 s THR 112 CO 0.05 -0.05 0.08 -0.32 -0.69 0.00 0.00 174.62 173.69 2ju3 s MET 113 N 1.19 3.27 -0.08 4.92 0.00 0.45 0.14 119.30 129.19 2ju3 s MET 113 Ca -0.07 -0.24 0.02 0.00 0.00 0.00 0.00 55.69 55.41 2ju3 s MET 113 Cb -0.20 -3.04 0.01 0.00 0.00 0.00 0.00 34.83 31.61 2ju3 s MET 113 CO -0.03 0.74 -0.15 0.99 0.00 0.00 0.00 175.02 176.57 2ju3 s THR 114 N -0.94 1.36 -0.25 10.11 2.01 0.31 0.84 115.64 129.08 2ju3 s THR 114 Ca 0.14 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2ju3 s THR 114 Cb -0.12 -1.23 0.07 0.00 0.01 0.00 0.00 72.50 71.23 2ju3 s THR 114 CO 0.03 0.41 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.15 2ju3 s LEU 115 N 0.70 2.56 0.00 4.42 0.20 0.43 -1.26 118.68 125.72 2ju3 s LEU 115 Ca -0.13 -1.32 0.00 0.00 0.69 0.00 0.00 54.13 53.37 2ju3 s LEU 115 Cb -0.16 -1.09 0.00 0.00 -0.43 0.00 0.00 46.19 44.51 2ju3 s LEU 115 CO 0.03 -0.29 0.00 0.61 -0.29 0.00 0.00 176.35 176.41 2ju3 n GLY 116 N 4.71 0.37 0.08 7.98 0.00 -1.26 -0.12 105.19 116.95 2ju3 n GLY 116 Ca -0.08 0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 2.72 0.49 -4.73 1.61 2.03 -1.26 -4.97 116.55 112.44 2ju3 n ASP 117 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2ju3 n ASP 117 Cb 0.00 1.05 -0.04 0.00 -0.72 0.00 0.00 41.12 41.41 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 -2.54 4.74 -0.01 5.18 -4.36 0.83 -5.05 121.20 119.99 2ju3 s ILE 118 Ca -0.09 1.87 0.03 0.00 -0.26 0.00 0.00 60.65 62.20 2ju3 s ILE 118 Cb 0.06 -4.23 -0.03 0.00 1.25 0.00 0.00 42.46 39.51 2ju3 s ILE 118 CO 0.76 0.28 -0.09 0.54 0.24 0.00 0.00 174.94 176.67 2ju3 s VAL 119 N 0.38 3.52 -0.01 8.37 0.11 -1.26 -0.43 120.40 131.07 2ju3 s VAL 119 Ca 0.45 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2ju3 s VAL 119 Cb -0.21 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 2ju3 s VAL 119 CO 0.26 0.44 -0.05 -0.47 -3.33 0.00 0.00 175.10 171.95 2ju3 s TYR 120 N -0.94 0.53 0.04 1.54 5.04 0.25 -4.65 117.35 119.16 2ju3 s TYR 120 Ca 0.16 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.71 2ju3 s TYR 120 Cb -0.11 -0.39 -0.02 0.00 0.35 0.00 0.00 41.96 41.79 2ju3 s TYR 120 CO 0.06 -0.05 -0.08 0.21 -1.34 0.00 0.00 175.55 174.35 2ju3 s LYS 121 N 0.13 0.56 0.02 4.97 2.20 -0.53 0.17 119.74 127.25 2ju3 s LYS 121 Ca -0.01 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 2ju3 s LYS 121 Cb -0.05 -0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 35.89 2ju3 s LYS 121 CO -0.00 0.07 -0.05 1.03 -0.36 0.00 0.00 175.35 176.04 2ju3 s ARG 122 N -1.50 0.39 -0.20 4.03 0.52 0.10 0.26 118.95 122.55 2ju3 s ARG 122 Ca -0.08 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2ju3 s ARG 122 Cb -0.09 -0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.17 2ju3 s ARG 122 CO 0.01 0.05 -0.16 0.08 0.02 0.00 0.00 175.30 175.30 2ju3 s VAL 123 N -0.79 2.29 0.19 3.52 1.01 0.49 0.14 120.40 127.25 2ju3 s VAL 123 Ca -0.06 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 60.95 2ju3 s VAL 123 Cb -0.06 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2ju3 s VAL 123 CO -0.00 0.39 0.12 -0.44 0.00 0.00 0.00 175.10 175.17 2ju3 s SER 124 N 1.28 5.35 0.12 3.32 0.01 0.26 0.10 113.70 124.14 2ju3 s SER 124 Ca 0.02 -0.22 0.11 0.00 1.31 0.00 0.00 55.95 57.17 2ju3 s SER 124 Cb -0.15 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 2ju3 s SER 124 CO -0.10 0.05 -0.27 -0.54 0.41 0.00 0.00 173.24 172.79 2ju3 s LYS 125 N -3.24 1.46 -0.09 12.44 -0.14 0.22 0.06 119.74 130.46 2ju3 s LYS 125 Ca 0.31 -1.31 -0.30 0.00 -1.36 0.00 0.00 55.97 53.31 2ju3 s LYS 125 Cb -0.09 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.12 2ju3 s LYS 125 CO 0.23 0.46 1.42 0.50 -0.76 0.00 0.00 175.35 177.19 2ju3 s ARG 126 N -1.92 4.23 0.00 1.68 3.00 0.33 0.01 118.95 126.28 2ju3 s ARG 126 Ca 0.13 1.90 0.16 0.00 -1.00 0.00 0.00 55.73 56.93 2ju3 s ARG 126 Cb -0.10 -3.79 0.13 0.00 0.00 0.00 0.00 34.95 31.19 2ju3 s ARG 126 CO 0.05 -0.71 1.02 0.44 0.00 0.00 0.00 175.30 176.10