#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 5.99 -0.26 7.83 2.47 -1.26 -4.86 114.94 124.85 2ju3 s ASN 2 Ca 0.00 -2.19 0.21 0.00 0.42 0.00 0.00 52.86 51.30 2ju3 s ASN 2 Cb 0.00 -2.08 0.50 0.00 -1.45 0.00 0.00 41.25 38.23 2ju3 s ASN 2 CO 0.00 -0.66 1.12 0.33 -3.72 0.00 0.00 177.10 174.17 2ju3 n PHE 3 N 4.57 1.43 -1.58 0.43 7.35 -1.26 -5.08 117.46 123.32 2ju3 n PHE 3 Ca -0.02 -2.14 -0.47 0.00 -0.76 0.00 0.00 57.45 54.06 2ju3 n PHE 3 Cb 0.42 -0.24 -0.03 0.00 0.35 0.00 0.00 39.48 39.97 2ju3 n PHE 3 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2ju3 n SER 4 N -0.61 1.24 0.00 -2.13 7.64 -1.25 -4.89 113.62 113.61 2ju3 n SER 4 Ca 0.11 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2ju3 n SER 4 Cb 0.82 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2ju3 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ju3 n GLY 5 N 1.69 -1.22 3.89 0.23 0.00 0.11 -4.94 105.19 104.95 2ju3 n GLY 5 Ca 0.13 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.17 3.56 -0.10 1.61 2.47 -1.26 -0.18 119.74 124.67 2ju3 s LYS 6 Ca 0.00 -0.14 -0.02 0.00 -1.56 0.00 0.00 55.97 54.26 2ju3 s LYS 6 Cb 0.00 -3.03 0.03 0.00 -1.46 0.00 0.00 37.83 33.38 2ju3 s LYS 6 CO 0.00 0.61 -0.00 0.71 0.16 0.00 0.00 175.35 176.83 2ju3 s TYR 7 N -1.40 0.83 -0.22 4.03 1.51 0.38 -2.61 117.35 119.87 2ju3 s TYR 7 Ca 0.31 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.88 2ju3 s TYR 7 Cb -0.13 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 2ju3 s TYR 7 CO 0.20 -0.40 0.25 1.14 -1.11 0.00 0.00 175.55 175.63 2ju3 s GLN 8 N 1.92 4.13 0.22 -0.62 1.03 -0.50 -0.37 119.66 125.48 2ju3 s GLN 8 Ca 0.04 -0.07 -0.31 0.00 0.04 0.00 0.00 55.36 55.07 2ju3 s GLN 8 Cb -0.13 -3.52 -0.10 0.00 0.03 0.00 0.00 33.01 29.29 2ju3 s GLN 8 CO -0.06 0.06 1.53 0.08 -2.54 0.00 0.00 175.29 174.36 2ju3 s VAL 9 N 1.03 2.51 -0.01 3.63 1.01 -1.01 -1.13 120.40 126.43 2ju3 s VAL 9 Ca 0.12 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 2ju3 s VAL 9 Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2ju3 s VAL 9 CO 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 175.10 175.16 2ju3 n GLN 10 N 3.01 0.05 -3.76 2.72 6.02 0.26 -4.65 117.38 121.03 2ju3 n GLN 10 Ca 0.10 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.82 2ju3 n GLN 10 Cb 0.39 -0.41 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 2ju3 n GLN 10 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2ju3 s SER 11 N -4.72 6.41 0.06 1.08 0.01 -1.06 -4.90 113.70 110.59 2ju3 s SER 11 Ca -0.03 0.41 -0.17 0.00 1.31 0.00 0.00 55.95 57.47 2ju3 s SER 11 Cb 0.00 -2.02 0.03 0.00 0.21 0.00 0.00 66.02 64.25 2ju3 s SER 11 CO 0.04 0.04 0.39 -1.10 0.41 0.00 0.00 173.24 173.03 2ju3 s GLN 12 N -2.91 0.94 0.13 12.44 -0.21 -1.26 0.20 119.66 128.99 2ju3 s GLN 12 Ca 0.38 -0.47 0.06 0.00 0.02 0.00 0.00 55.36 55.35 2ju3 s GLN 12 Cb -0.12 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.27 2ju3 s GLN 12 CO 0.27 -0.33 -0.14 -1.83 -2.12 0.00 0.00 175.29 171.14 2ju3 s GLU 13 N -2.82 1.06 -1.40 2.91 -1.05 0.16 -4.86 118.70 112.70 2ju3 s GLU 13 Ca -0.03 -1.29 -0.09 0.00 -0.15 0.00 0.00 54.97 53.41 2ju3 s GLU 13 Cb -0.00 -0.92 0.01 0.00 -0.44 0.00 0.00 34.13 32.78 2ju3 s GLU 13 CO -0.05 0.17 1.09 0.09 0.95 0.00 0.00 175.26 177.51 2ju3 n ASN 14 N 0.40 -6.27 -0.04 0.83 3.02 -1.26 -1.28 115.26 110.66 2ju3 n ASN 14 Ca -0.14 -0.52 -0.15 0.00 -0.03 0.00 0.00 54.58 53.74 2ju3 n ASN 14 Cb 0.57 -4.95 -0.08 0.00 -0.61 0.00 0.00 39.78 34.72 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 -2.48 0.68 0.90 3.10 3.04 -1.89 -3.12 116.94 117.17 2ju3 h PHE 15 Ca -0.56 -0.27 -0.04 0.00 3.98 0.00 0.00 57.97 61.08 2ju3 h PHE 15 Cb 1.37 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.77 2ju3 h PHE 15 CO 0.51 1.01 -0.49 0.93 -2.02 0.00 0.00 178.31 178.26 2ju3 h GLU 16 N 0.14 -1.23 -0.16 1.11 5.08 -1.90 -1.08 114.58 116.55 2ju3 h GLU 16 Ca -0.01 0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2ju3 h GLU 16 Cb 1.01 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2ju3 h GLU 16 CO 0.09 -0.82 0.13 -1.00 -1.00 0.00 0.00 179.01 176.41 2ju3 h PRO 17 N -1.27 0.00 0.07 2.33 0.13 -1.96 1.59 132.00 132.88 2ju3 h PRO 17 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2ju3 h PRO 17 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ju3 h PRO 17 CO 0.17 0.00 -0.03 0.35 -0.23 0.00 0.00 178.00 178.25 2ju3 h PHE 18 N 0.00 -0.09 -0.08 1.56 3.57 -1.44 -1.93 116.94 118.53 2ju3 h PHE 18 Ca 0.08 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2ju3 h PHE 18 Cb 0.34 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2ju3 h PHE 18 CO 0.00 0.45 -0.43 0.52 -2.23 0.00 0.00 178.31 176.61 2ju3 h MET 19 N -0.70 0.18 -0.22 1.11 2.86 0.19 0.15 114.93 118.50 2ju3 h MET 19 Ca -0.01 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2ju3 h MET 19 Cb 0.57 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2ju3 h MET 19 CO 0.02 0.59 0.12 0.87 1.06 0.00 0.00 176.91 179.56 2ju3 h LYS 20 N 0.15 0.24 0.00 1.72 1.57 0.22 0.77 116.57 121.24 2ju3 h LYS 20 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ju3 h LYS 20 Cb 0.83 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2ju3 h LYS 20 CO 0.06 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 2ju3 h ALA 21 N 1.10 1.00 0.00 3.86 0.00 -1.08 -0.44 119.26 123.71 2ju3 h ALA 21 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ju3 h ALA 21 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ju3 h ALA 21 CO -0.05 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.87 2ju3 n MET 22 N -2.96 0.30 0.00 0.00 2.81 0.50 -4.86 117.12 112.91 2ju3 n MET 22 Ca 0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2ju3 n MET 22 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.20 1.14 3.71 3.03 0.00 0.18 -5.01 105.19 109.43 2ju3 n GLY 23 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 4.25 0.59 0.99 2.96 0.24 -4.97 118.68 122.74 2ju3 s LEU 24 Ca 0.00 0.80 -0.18 0.00 -0.22 0.00 0.00 54.13 54.53 2ju3 s LEU 24 Cb 0.00 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 2ju3 s LEU 24 CO 0.00 -0.04 1.11 -2.16 -1.32 0.00 0.00 176.35 173.94 2ju3 s PRO 25 N 0.86 3.17 0.40 0.98 0.04 -1.26 -3.95 135.00 135.24 2ju3 s PRO 25 Ca 0.26 1.50 0.16 0.00 0.04 0.00 0.00 61.00 62.96 2ju3 s PRO 25 Cb -0.15 -1.99 1.03 0.00 0.04 0.00 0.00 34.50 33.43 2ju3 s PRO 25 CO 0.10 -0.97 1.84 1.05 0.04 0.00 0.00 177.00 179.06 2ju3 h GLU 26 N 0.75 0.45 -0.27 4.56 9.09 -1.97 0.75 114.58 127.94 2ju3 h GLU 26 Ca -0.49 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 58.87 2ju3 h GLU 26 Cb 1.25 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2ju3 h GLU 26 CO 0.56 0.30 0.05 0.22 0.05 0.00 0.00 179.01 180.19 2ju3 h ASP 27 N 0.46 0.43 0.51 3.06 3.58 -1.99 0.35 116.42 122.81 2ju3 h ASP 27 Ca 0.49 -0.25 -0.17 0.00 0.42 0.00 0.00 57.03 57.52 2ju3 h ASP 27 Cb 1.14 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2ju3 h ASP 27 CO -0.21 0.57 -0.75 -0.07 -2.88 0.00 0.00 179.24 175.90 2ju3 h LEU 28 N 0.27 0.24 -0.37 2.28 3.38 -1.57 -3.05 115.31 116.48 2ju3 h LEU 28 Ca 0.08 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2ju3 h LEU 28 Cb 0.32 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2ju3 h LEU 28 CO 0.00 0.90 0.19 0.40 0.09 0.00 0.00 178.44 180.03 2ju3 h ILE 29 N 0.13 1.00 0.00 1.22 1.08 0.80 0.82 117.51 122.55 2ju3 h ILE 29 Ca -0.02 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 2ju3 h ILE 29 Cb 1.32 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2ju3 h ILE 29 CO 0.11 0.07 -0.16 1.56 -0.69 0.00 0.00 178.15 179.04 2ju3 h GLN 30 N 0.39 0.00 0.13 2.37 1.08 -0.25 0.44 115.11 119.28 2ju3 h GLN 30 Ca 0.15 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.15 2ju3 h GLN 30 Cb 0.05 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2ju3 h GLN 30 CO -0.10 0.16 -0.89 0.87 -0.95 0.00 0.00 178.83 177.93 2ju3 h LYS 31 N 0.00 0.37 -0.00 1.46 1.57 -1.30 -3.22 116.57 115.45 2ju3 h LYS 31 Ca -0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2ju3 h LYS 31 Cb 0.30 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2ju3 h LYS 31 CO 0.02 1.26 -0.04 0.41 -0.57 0.00 0.00 179.45 180.53 2ju3 n GLY 32 N 1.56 -1.47 0.21 3.86 0.00 0.22 -4.23 105.19 105.34 2ju3 n GLY 32 Ca -0.14 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.90 2ju3 n GLY 32 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ju3 h LYS 33 N 0.00 0.00 0.00 1.61 3.64 -0.12 -0.65 116.57 121.05 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 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2ju3 h LYS 33 CO 0.00 0.00 -0.07 -3.47 -2.27 0.00 0.00 179.45 173.64 2ju3 n ASP 34 N -2.46 1.71 -4.76 4.20 2.03 -1.26 -4.91 116.55 111.10 2ju3 n ASP 34 Ca -0.02 -2.42 -0.40 0.00 0.52 0.00 0.00 54.79 52.48 2ju3 n ASP 34 Cb 0.05 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.17 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 -1.65 4.46 0.00 5.18 1.09 -0.25 -5.00 121.20 125.03 2ju3 s ILE 35 Ca 0.15 1.74 0.00 0.00 -1.10 0.00 0.00 60.65 61.44 2ju3 s ILE 35 Cb 0.13 -4.16 0.00 0.00 -1.06 0.00 0.00 42.46 37.37 2ju3 s ILE 35 CO 0.01 0.46 0.00 0.29 -0.10 0.00 0.00 174.94 175.60 2ju3 n LYS 36 N 2.04 0.00 0.00 2.79 4.01 -1.26 -4.89 118.16 120.84 2ju3 n LYS 36 Ca -0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 2ju3 n LYS 36 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 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 3.03 0.24 3.56 0.72 0.00 -1.24 -2.27 105.19 109.23 2ju3 n GLY 37 Ca 0.00 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.49 4.71 0.09 1.61 1.01 -1.26 -2.42 120.40 122.65 2ju3 s VAL 38 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2ju3 s VAL 38 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2ju3 s VAL 38 CO 0.00 0.39 -0.08 -0.94 0.00 0.00 0.00 175.10 174.47 2ju3 s SER 39 N 1.00 4.51 -0.07 3.32 1.04 0.50 -2.44 113.70 121.57 2ju3 s SER 39 Ca 0.05 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2ju3 s SER 39 Cb -0.14 -0.92 0.01 0.00 0.10 0.00 0.00 66.02 65.07 2ju3 s SER 39 CO 0.03 0.19 -0.13 -0.70 0.98 0.00 0.00 173.24 173.61 2ju3 s GLU 40 N -2.13 1.80 -0.19 4.02 2.12 0.20 0.14 118.70 124.66 2ju3 s GLU 40 Ca 0.22 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.10 2ju3 s GLU 40 Cb -0.11 -1.47 0.04 0.00 0.26 0.00 0.00 34.13 32.84 2ju3 s GLU 40 CO 0.14 0.05 -0.14 0.42 -0.54 0.00 0.00 175.26 175.19 2ju3 s ILE 41 N 0.60 1.83 -0.22 -3.70 -1.09 0.74 -0.80 121.20 118.55 2ju3 s ILE 41 Ca -0.14 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.26 2ju3 s ILE 41 Cb -0.16 -1.81 0.05 0.00 -1.58 0.00 0.00 42.46 38.97 2ju3 s ILE 41 CO 0.04 0.29 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.27 2ju3 s VAL 42 N 1.33 1.64 -0.31 2.92 1.01 -0.52 0.05 120.40 126.52 2ju3 s VAL 42 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 2ju3 s VAL 42 Cb -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2ju3 s VAL 42 CO -0.09 0.03 0.18 -2.28 0.00 0.00 0.00 175.10 172.94 2ju3 s HIS 43 N 1.37 3.20 -0.31 5.22 5.04 -1.26 0.12 115.29 128.67 2ju3 s HIS 43 Ca -0.04 -0.34 0.04 0.00 -1.54 0.00 0.00 55.06 53.17 2ju3 s HIS 43 Cb -0.18 -2.39 0.08 0.00 0.04 0.00 0.00 32.58 30.13 2ju3 s HIS 43 CO -0.07 -0.38 -0.01 -2.00 -2.34 0.00 0.00 174.74 169.94 2ju3 s GLU 44 N 1.67 1.78 4.84 2.88 2.12 0.19 -4.82 118.70 127.36 2ju3 s GLU 44 Ca 0.06 -1.67 0.00 0.00 0.36 0.00 0.00 54.97 53.71 2ju3 s GLU 44 Cb -0.17 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.13 2ju3 s GLU 44 CO 0.08 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 2ju3 n GLY 45 N 4.32 1.35 0.13 -1.50 0.00 -1.26 -1.83 105.19 106.41 2ju3 n GLY 45 Ca -0.03 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 0.65 -2.40 1.61 4.01 -1.26 -4.97 118.16 115.79 2ju3 n LYS 46 Ca 0.00 0.24 -0.41 0.00 -0.51 0.00 0.00 58.31 57.63 2ju3 n LYS 46 Cb 0.00 -1.58 -0.03 0.00 -0.51 0.00 0.00 35.03 32.91 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 -2.51 4.51 -0.08 1.97 1.02 -0.76 -2.07 119.74 121.82 2ju3 s LYS 47 Ca -0.33 1.84 0.04 0.00 0.02 0.00 0.00 55.97 57.55 2ju3 s LYS 47 Cb 0.10 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.15 2ju3 s LYS 47 CO 0.61 -0.07 -0.22 0.08 -0.92 0.00 0.00 175.35 174.84 2ju3 s VAL 48 N -0.02 1.84 -0.10 3.17 1.01 0.15 0.55 120.40 126.99 2ju3 s VAL 48 Ca 0.52 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2ju3 s VAL 48 Cb -0.32 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2ju3 s VAL 48 CO 0.36 0.51 0.61 -0.54 0.00 0.00 0.00 175.10 176.05 2ju3 s LYS 49 N 0.20 4.37 -0.20 2.72 1.02 0.33 -1.94 119.74 126.24 2ju3 s LYS 49 Ca -0.12 0.69 0.01 0.00 0.02 0.00 0.00 55.97 56.58 2ju3 s LYS 49 Cb -0.16 -3.46 0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2ju3 s LYS 49 CO 0.06 0.05 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.91 2ju3 s LEU 50 N 0.91 2.41 -0.25 3.17 1.02 0.20 -1.44 118.68 124.69 2ju3 s LEU 50 Ca 0.32 -0.93 -0.03 0.00 0.02 0.00 0.00 54.13 53.51 2ju3 s LEU 50 Cb -0.17 -1.30 0.02 0.00 0.02 0.00 0.00 46.19 44.76 2ju3 s LEU 50 CO 0.14 -0.13 -0.02 -0.89 0.02 0.00 0.00 176.35 175.46 2ju3 s THR 51 N 1.35 3.22 -0.08 5.49 2.01 0.01 -0.18 115.64 127.46 2ju3 s THR 51 Ca -0.02 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.15 2ju3 s THR 51 Cb -0.16 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.75 2ju3 s THR 51 CO -0.08 0.21 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.31 2ju3 s ILE 52 N 1.39 1.17 -0.22 1.82 1.09 0.73 0.60 121.20 127.79 2ju3 s ILE 52 Ca 0.02 -0.47 -0.14 0.00 -1.10 0.00 0.00 60.65 58.96 2ju3 s ILE 52 Cb -0.16 -1.09 -0.04 0.00 -1.06 0.00 0.00 42.46 40.10 2ju3 s ILE 52 CO -0.03 0.37 0.32 -0.89 -0.10 0.00 0.00 174.94 174.61 2ju3 s THR 53 N 0.92 5.25 -0.49 2.92 2.01 -1.02 -0.18 115.64 125.06 2ju3 s THR 53 Ca -0.09 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 2ju3 s THR 53 Cb -0.15 -3.65 0.13 0.00 0.01 0.00 0.00 72.50 68.84 2ju3 s THR 53 CO 0.00 0.28 0.32 -0.31 -0.69 0.00 0.00 174.62 174.23 2ju3 s TYR 54 N 1.24 3.51 0.00 4.92 2.02 0.17 -3.68 117.35 125.53 2ju3 s TYR 54 Ca 0.15 -2.29 0.00 0.00 -0.37 0.00 0.00 57.07 54.56 2ju3 s TYR 54 Cb -0.14 -3.34 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 2ju3 s TYR 54 CO 0.07 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 2ju3 n GLY 55 N 4.43 0.42 0.12 0.71 0.00 -0.96 -1.88 105.19 108.03 2ju3 n GLY 55 Ca -0.01 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 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 5.27 1.45 -4.86 1.61 3.41 -1.26 -4.98 113.62 114.27 2ju3 n SER 56 Ca 0.00 -0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.24 2ju3 n SER 56 Cb 0.00 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.52 3.87 -0.12 4.33 2.36 -0.79 -5.08 119.74 121.79 2ju3 s LYS 57 Ca -0.26 0.33 0.03 0.00 -2.55 0.00 0.00 55.97 53.52 2ju3 s LYS 57 Cb 0.08 -2.90 0.01 0.00 -1.05 0.00 0.00 37.83 33.97 2ju3 s LYS 57 CO 0.69 0.47 -0.20 0.08 1.55 0.00 0.00 175.35 177.95 2ju3 s VAL 58 N -1.52 1.82 -0.20 4.02 1.01 -1.26 0.43 120.40 124.70 2ju3 s VAL 58 Ca 0.38 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2ju3 s VAL 58 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2ju3 s VAL 58 CO 0.19 0.50 0.02 -0.63 0.00 0.00 0.00 175.10 175.19 2ju3 s ILE 59 N 0.75 4.26 -0.22 2.22 1.01 0.75 -4.95 121.20 125.01 2ju3 s ILE 59 Ca -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 2ju3 s ILE 59 Cb -0.16 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2ju3 s ILE 59 CO 0.01 0.43 -0.07 -2.28 0.00 0.00 0.00 174.94 173.03 2ju3 s HIS 60 N 0.81 2.96 -0.04 3.97 5.65 -1.26 -0.19 115.29 127.19 2ju3 s HIS 60 Ca 0.02 -1.24 -0.06 0.00 0.25 0.00 0.00 55.06 54.03 2ju3 s HIS 60 Cb -0.14 -2.07 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 2ju3 s HIS 60 CO 0.02 -0.65 0.14 0.54 -0.65 0.00 0.00 174.74 174.15 2ju3 s ASN 61 N 1.40 -0.11 0.02 9.88 2.20 0.74 -4.87 114.94 124.20 2ju3 s ASN 61 Ca 0.04 0.18 0.07 0.00 -0.94 0.00 0.00 52.86 52.22 2ju3 s ASN 61 Cb -0.15 0.28 -0.02 0.00 -2.00 0.00 0.00 41.25 39.36 2ju3 s ASN 61 CO -0.05 -0.12 -0.22 -1.61 -2.94 0.00 0.00 177.10 172.15 2ju3 s GLU 62 N -0.25 1.65 0.03 3.55 2.02 -1.26 0.58 118.70 125.02 2ju3 s GLU 62 Ca -0.03 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 2ju3 s GLU 62 Cb -0.03 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 2ju3 s GLU 62 CO 0.00 0.45 -0.01 -0.59 0.02 0.00 0.00 175.26 175.13 2ju3 s PHE 63 N -0.68 0.31 -0.15 1.61 -0.12 -0.82 -4.76 117.98 113.37 2ju3 s PHE 63 Ca 0.09 -0.64 -0.05 0.00 -0.05 0.00 0.00 56.93 56.27 2ju3 s PHE 63 Cb -0.09 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 2ju3 s PHE 63 CO 0.01 -0.25 0.02 0.99 -0.05 0.00 0.00 175.22 175.93 2ju3 s THR 64 N -2.14 4.44 0.08 -4.49 2.01 -1.26 0.29 115.64 114.57 2ju3 s THR 64 Ca -0.10 -0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 2ju3 s THR 64 Cb -0.05 -2.96 -0.08 0.00 0.01 0.00 0.00 72.50 69.42 2ju3 s THR 64 CO -0.03 0.50 1.58 -0.76 -0.69 0.00 0.00 174.62 175.22 2ju3 s LEU 65 N 0.10 4.36 -0.38 4.42 2.01 -0.88 -2.21 118.68 126.10 2ju3 s LEU 65 Ca 0.03 2.45 0.00 0.00 0.01 0.00 0.00 54.13 56.62 2ju3 s LEU 65 Cb -0.13 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.50 2ju3 s LEU 65 CO 0.01 -0.83 0.00 0.61 1.01 0.00 0.00 176.35 177.16 2ju3 n GLY 66 N 3.85 0.57 3.07 -3.19 0.00 0.15 -4.89 105.19 104.75 2ju3 n GLY 66 Ca 0.15 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.66 0.82 -0.10 1.61 2.56 -0.94 -4.96 118.70 116.03 2ju3 s GLU 67 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 54.97 54.16 2ju3 s GLU 67 Cb 0.00 -0.79 -0.03 0.00 2.00 0.00 0.00 34.13 35.31 2ju3 s GLU 67 CO 0.00 0.21 1.42 -2.00 -0.56 0.00 0.00 175.26 174.33 2ju3 s GLU 68 N -0.63 4.22 0.03 4.30 2.12 -1.26 -3.60 118.70 123.88 2ju3 s GLU 68 Ca 0.02 1.89 0.03 0.00 0.36 0.00 0.00 54.97 57.27 2ju3 s GLU 68 Cb -0.06 -3.82 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 2ju3 s GLU 68 CO 0.00 -0.73 -0.09 0.00 -0.54 0.00 0.00 175.26 173.90 2ju3 s GLU 70 N -1.06 4.23 -0.19 0.00 8.01 -1.26 0.91 118.70 129.35 2ju3 s GLU 70 Ca -0.04 0.35 -0.15 0.00 0.01 0.00 0.00 54.97 55.15 2ju3 s GLU 70 Cb -0.07 -3.52 -0.04 0.00 -4.31 0.00 0.00 34.13 26.19 2ju3 s GLU 70 CO 0.00 -0.02 0.34 -1.17 0.01 0.00 0.00 175.26 174.42 2ju3 s LEU 71 N 1.23 4.19 -0.27 1.80 1.98 0.22 -4.74 118.68 123.08 2ju3 s LEU 71 Ca 0.23 0.48 -0.10 0.00 -2.89 0.00 0.00 54.13 51.85 2ju3 s LEU 71 Cb -0.15 -2.42 -0.04 0.00 0.66 0.00 0.00 46.19 44.24 2ju3 s LEU 71 CO 0.09 0.00 0.14 -0.70 -1.89 0.00 0.00 176.35 174.00 2ju3 s GLU 72 N 0.96 3.79 0.67 1.98 2.12 -1.26 -0.79 118.70 126.16 2ju3 s GLU 72 Ca 0.17 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 2ju3 s GLU 72 Cb -0.14 -3.53 0.08 0.00 0.26 0.00 0.00 34.13 30.80 2ju3 s GLU 72 CO 0.06 -0.21 0.94 0.95 -0.54 0.00 0.00 175.26 176.47 2ju3 s THR 73 N 1.70 2.36 -1.73 -1.70 -4.23 -0.75 -4.80 115.64 106.49 2ju3 s THR 73 Ca 0.07 -0.49 0.14 0.00 -1.18 0.00 0.00 61.69 60.23 2ju3 s THR 73 Cb -0.16 -2.87 0.33 0.00 1.34 0.00 0.00 72.50 71.14 2ju3 s THR 73 CO 0.08 0.00 1.31 1.15 -0.54 0.00 0.00 174.62 176.62 2ju3 n MET 74 N -2.74 0.33 0.02 3.99 0.00 -1.26 -1.18 117.12 116.27 2ju3 n MET 74 Ca 0.10 0.07 0.11 0.00 0.00 0.00 0.00 57.70 57.99 2ju3 n MET 74 Cb 0.60 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.22 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 -1.13 0.13 0.00 3.17 -2.24 -1.26 -4.96 114.28 107.99 2ju3 n THR 75 Ca 0.09 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2ju3 n THR 75 Cb 0.08 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.29 0.75 3.62 3.38 0.00 -0.32 -5.04 105.19 108.88 2ju3 n GLY 76 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.92 3.86 -0.17 1.61 2.12 -1.26 -4.70 118.70 119.23 2ju3 s GLU 77 Ca 0.00 1.18 -0.03 0.00 0.36 0.00 0.00 54.97 56.47 2ju3 s GLU 77 Cb 0.00 -3.90 -0.02 0.00 0.26 0.00 0.00 34.13 30.47 2ju3 s GLU 77 CO 0.00 -1.20 -0.04 0.21 -0.54 0.00 0.00 175.26 173.69 2ju3 s LYS 78 N 4.30 3.57 -0.02 4.30 2.20 -1.25 -1.80 119.74 131.03 2ju3 s LYS 78 Ca 0.57 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2ju3 s LYS 78 Cb -0.16 -2.92 -0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2ju3 s LYS 78 CO 0.25 0.12 -0.12 0.54 -0.36 0.00 0.00 175.35 175.77 2ju3 s VAL 79 N 0.68 1.00 0.01 4.02 0.11 0.03 -4.81 120.40 121.43 2ju3 s VAL 79 Ca -0.02 -0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 2ju3 s VAL 79 Cb -0.15 -0.86 -0.07 0.00 -1.53 0.00 0.00 36.38 33.77 2ju3 s VAL 79 CO 0.02 0.29 1.78 -0.54 -3.33 0.00 0.00 175.10 173.32 2ju3 s LYS 80 N -0.07 4.17 0.02 1.54 1.02 -1.26 0.69 119.74 125.85 2ju3 s LYS 80 Ca 0.01 2.39 0.03 0.00 0.02 0.00 0.00 55.97 58.42 2ju3 s LYS 80 Cb -0.07 -3.96 -0.01 0.00 -0.52 0.00 0.00 37.83 33.26 2ju3 s LYS 80 CO 0.00 -0.87 -0.09 0.00 -0.92 0.00 0.00 175.35 173.48 2ju3 s ALA 81 N 3.88 0.72 -0.32 5.17 0.00 0.26 -4.90 121.76 126.56 2ju3 s ALA 81 Ca 0.79 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 2ju3 s ALA 81 Cb -0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 2ju3 s ALA 81 CO 0.35 0.12 0.17 0.08 0.00 0.00 0.00 175.76 176.48 2ju3 s VAL 82 N -0.64 4.72 -0.19 0.00 1.01 -1.26 0.59 120.40 124.63 2ju3 s VAL 82 Ca -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2ju3 s VAL 82 Cb -0.06 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2ju3 s VAL 82 CO 0.00 0.02 -0.08 0.54 0.00 0.00 0.00 175.10 175.58 2ju3 s VAL 83 N 1.62 3.24 0.16 2.92 0.11 -1.24 -4.17 120.40 123.05 2ju3 s VAL 83 Ca 0.05 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 2ju3 s VAL 83 Cb -0.17 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 2ju3 s VAL 83 CO 0.07 0.46 0.17 -0.75 -3.33 0.00 0.00 175.10 171.72 2ju3 s LYS 84 N 1.06 1.09 -0.49 1.54 2.36 -1.11 0.30 119.74 124.49 2ju3 s LYS 84 Ca 0.00 -1.38 -0.28 0.00 -2.55 0.00 0.00 55.97 51.76 2ju3 s LYS 84 Cb -0.15 0.30 0.03 0.00 -1.05 0.00 0.00 37.83 36.97 2ju3 s LYS 84 CO -0.01 -0.36 1.12 -1.64 1.55 0.00 0.00 175.35 176.01 2ju3 s MET 85 N -4.04 3.67 0.01 4.03 -1.94 -1.26 -0.18 119.30 119.59 2ju3 s MET 85 Ca 0.25 0.47 0.07 0.00 -1.71 0.00 0.00 55.69 54.77 2ju3 s MET 85 Cb 0.06 -3.93 -0.02 0.00 2.01 0.00 0.00 34.83 32.95 2ju3 s MET 85 CO 0.04 -1.41 -0.21 -2.00 -0.01 0.00 0.00 175.02 171.43 2ju3 s GLU 86 N 4.45 1.53 0.00 2.03 2.12 0.32 -4.45 118.70 124.70 2ju3 s GLU 86 Ca 0.46 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2ju3 s GLU 86 Cb -0.07 -1.56 0.00 0.00 0.26 0.00 0.00 34.13 32.76 2ju3 s GLU 86 CO 0.30 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.85 2ju3 n GLY 87 N 2.20 0.44 4.13 -1.50 0.00 -1.26 -4.14 105.19 105.06 2ju3 n GLY 87 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.00 -0.11 1.61 2.03 -1.26 -4.41 116.55 114.41 2ju3 n ASP 88 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 2ju3 n ASP 88 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 2ju3 n ASP 88 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ju3 n ASN 89 N 0.92 1.00 -3.01 1.67 4.13 -1.26 -4.98 115.26 113.73 2ju3 n ASN 89 Ca 0.00 -0.06 -0.16 0.00 1.68 0.00 0.00 54.58 56.04 2ju3 n ASN 89 Cb 0.00 0.28 -0.04 0.00 -1.54 0.00 0.00 39.78 38.48 2ju3 n ASN 89 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2ju3 n LYS 90 N -3.01 0.62 -3.99 3.52 4.81 -1.11 -2.89 118.16 116.11 2ju3 n LYS 90 Ca -0.39 -2.87 -0.29 0.00 -0.87 0.00 0.00 58.31 53.88 2ju3 n LYS 90 Cb 1.07 2.65 -0.05 0.00 0.02 0.00 0.00 35.03 38.73 2ju3 n LYS 90 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2ju3 s MET 91 N -2.92 3.18 -0.11 1.64 -1.94 -0.99 -0.52 119.30 117.64 2ju3 s MET 91 Ca 0.31 -0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 53.65 2ju3 s MET 91 Cb -0.00 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.95 2ju3 s MET 91 CO 0.22 0.56 -0.03 0.08 -0.01 0.00 0.00 175.02 175.84 2ju3 s VAL 92 N -1.56 4.03 -0.09 -6.03 1.01 0.74 -1.47 120.40 117.03 2ju3 s VAL 92 Ca 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2ju3 s VAL 92 Cb -0.12 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2ju3 s VAL 92 CO 0.25 0.56 -0.08 0.28 0.00 0.00 0.00 175.10 176.11 2ju3 s THR 93 N -0.39 0.99 -0.24 3.92 -1.32 0.10 -2.77 115.64 115.93 2ju3 s THR 93 Ca 0.07 -0.30 -0.12 0.00 -1.21 0.00 0.00 61.69 60.12 2ju3 s THR 93 Cb -0.12 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 69.84 2ju3 s THR 93 CO 0.02 0.35 0.24 0.42 -2.21 0.00 0.00 174.62 173.44 2ju3 s THR 94 N 1.39 5.29 -0.12 5.08 -4.23 -1.26 -1.22 115.64 120.57 2ju3 s THR 94 Ca -0.01 0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 60.63 2ju3 s THR 94 Cb -0.13 -3.58 0.05 0.00 1.34 0.00 0.00 72.50 70.18 2ju3 s THR 94 CO -0.04 0.28 0.50 0.72 -0.54 0.00 0.00 174.62 175.54 2ju3 s PHE 95 N 1.37 -0.49 -1.66 3.99 -0.71 0.45 -4.24 117.98 116.71 2ju3 s PHE 95 Ca 0.11 1.05 0.00 0.00 -1.04 0.00 0.00 56.93 57.05 2ju3 s PHE 95 Cb -0.15 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 2ju3 s PHE 95 CO 0.07 -0.37 0.00 1.63 -1.34 0.00 0.00 175.22 175.21 2ju3 n LYS 96 N 2.06 -1.53 -0.10 1.99 5.02 -1.26 -0.37 118.16 123.97 2ju3 n LYS 96 Ca -0.17 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2ju3 n LYS 96 Cb 0.56 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 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 -0.47 1.80 3.89 0.72 0.00 -1.26 -5.03 105.19 104.83 2ju3 n GLY 97 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.76 5.15 -0.27 -0.61 -5.25 0.50 -4.72 121.20 113.24 2ju3 s ILE 98 Ca 0.00 0.17 -0.04 0.00 -0.99 0.00 0.00 60.65 59.79 2ju3 s ILE 98 Cb 0.00 -3.62 0.02 0.00 2.95 0.00 0.00 42.46 41.81 2ju3 s ILE 98 CO 0.00 0.13 0.01 -1.59 -1.79 0.00 0.00 174.94 171.70 2ju3 s LYS 99 N -2.39 2.92 -0.24 0.37 0.00 0.43 -0.41 119.74 120.42 2ju3 s LYS 99 Ca 0.38 -0.95 -0.03 0.00 0.00 0.00 0.00 55.97 55.38 2ju3 s LYS 99 Cb -0.13 -3.18 0.02 0.00 0.00 0.00 0.00 37.83 34.54 2ju3 s LYS 99 CO 0.22 -0.44 -0.05 0.45 0.00 0.00 0.00 175.35 175.53 2ju3 s SER 100 N 1.40 4.32 -0.11 0.03 0.15 -0.36 0.56 113.70 119.69 2ju3 s SER 100 Ca 0.01 -0.73 -0.05 0.00 0.70 0.00 0.00 55.95 55.88 2ju3 s SER 100 Cb -0.17 -1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 2ju3 s SER 100 CO -0.01 -0.10 0.07 0.54 1.20 0.00 0.00 173.24 174.94 2ju3 s VAL 101 N 1.38 4.91 -0.03 4.45 0.11 0.29 0.03 120.40 131.54 2ju3 s VAL 101 Ca 0.02 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 2ju3 s VAL 101 Cb -0.16 -3.11 -0.01 0.00 -1.53 0.00 0.00 36.38 31.57 2ju3 s VAL 101 CO -0.04 0.61 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.27 2ju3 s THR 102 N -0.91 1.44 -0.17 5.04 2.01 -0.54 0.78 115.64 123.28 2ju3 s THR 102 Ca 0.14 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2ju3 s THR 102 Cb -0.12 -1.22 0.04 0.00 0.01 0.00 0.00 72.50 71.22 2ju3 s THR 102 CO 0.03 0.41 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.60 2ju3 s GLU 103 N -0.20 1.69 -0.36 4.92 2.12 0.26 -2.34 118.70 124.79 2ju3 s GLU 103 Ca 0.02 -0.63 -0.07 0.00 0.36 0.00 0.00 54.97 54.65 2ju3 s GLU 103 Cb -0.09 -2.14 0.05 0.00 0.26 0.00 0.00 34.13 32.21 2ju3 s GLU 103 CO 0.01 -0.42 0.15 0.12 -0.54 0.00 0.00 175.26 174.58 2ju3 s PHE 104 N 1.54 3.30 -0.39 5.30 5.36 -1.14 0.13 117.98 132.09 2ju3 s PHE 104 Ca 0.00 -1.51 -0.02 0.00 -0.96 0.00 0.00 56.93 54.45 2ju3 s PHE 104 Cb -0.15 -2.51 0.10 0.00 -0.34 0.00 0.00 43.02 40.12 2ju3 s PHE 104 CO -0.08 -0.77 0.16 1.21 -1.46 0.00 0.00 175.22 174.28 2ju3 s ASN 105 N 1.60 5.16 0.13 6.13 2.47 0.24 -4.50 114.94 126.17 2ju3 s ASN 105 Ca 0.00 -1.96 0.00 0.00 0.42 0.00 0.00 52.86 51.32 2ju3 s ASN 105 Cb -0.21 -1.79 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 2ju3 s ASN 105 CO 0.02 -0.49 0.00 0.61 -3.72 0.00 0.00 177.10 173.52 2ju3 n GLY 106 N 4.55 0.84 0.00 1.21 0.00 -1.26 -0.55 105.19 109.99 2ju3 n GLY 106 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 4.68 0.65 -4.58 1.61 5.75 -1.26 -5.05 116.55 118.35 2ju3 n ASP 107 Ca 0.00 -0.85 -0.31 0.00 -0.01 0.00 0.00 54.79 53.63 2ju3 n ASP 107 Cb 0.00 0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.25 3.47 -0.06 2.12 -4.23 0.29 -0.91 115.64 116.07 2ju3 s THR 108 Ca 0.00 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2ju3 s THR 108 Cb 0.00 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.27 2ju3 s THR 108 CO 0.00 0.24 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.53 2ju3 s ILE 109 N -1.12 1.35 -0.36 2.99 1.01 0.29 0.80 121.20 126.16 2ju3 s ILE 109 Ca 0.20 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2ju3 s ILE 109 Cb -0.11 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.20 2ju3 s ILE 109 CO 0.11 0.40 0.17 -0.89 0.00 0.00 0.00 174.94 174.73 2ju3 s THR 110 N 0.40 4.29 -0.33 2.92 2.01 0.36 0.34 115.64 125.62 2ju3 s THR 110 Ca -0.11 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 2ju3 s THR 110 Cb -0.14 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 2ju3 s THR 110 CO 0.04 -0.20 0.21 0.21 -0.69 0.00 0.00 174.62 174.19 2ju3 s ASN 111 N 1.50 5.88 -0.24 3.53 3.04 0.42 0.90 114.94 129.98 2ju3 s ASN 111 Ca 0.01 -0.48 -0.03 0.00 0.04 0.00 0.00 52.86 52.40 2ju3 s ASN 111 Cb -0.19 -2.09 0.01 0.00 -1.54 0.00 0.00 41.25 37.44 2ju3 s ASN 111 CO 0.05 -0.23 -0.04 -0.89 -3.04 0.00 0.00 177.10 172.95 2ju3 s THR 112 N 1.68 3.21 -0.12 -5.21 2.01 0.23 0.69 115.64 118.14 2ju3 s THR 112 Ca 0.05 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 2ju3 s THR 112 Cb -0.17 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 2ju3 s THR 112 CO 0.09 0.32 0.09 -0.32 -0.69 0.00 0.00 174.62 174.11 2ju3 s MET 113 N 1.42 3.38 -0.19 4.92 1.75 0.53 0.10 119.30 131.23 2ju3 s MET 113 Ca 0.04 -0.24 -0.00 0.00 -1.25 0.00 0.00 55.69 54.24 2ju3 s MET 113 Cb -0.15 -3.08 0.05 0.00 2.84 0.00 0.00 34.83 34.48 2ju3 s MET 113 CO -0.04 0.69 -0.06 0.99 -0.65 0.00 0.00 175.02 175.95 2ju3 s THR 114 N -0.79 1.28 -0.33 10.11 2.01 0.19 0.11 115.64 128.22 2ju3 s THR 114 Ca 0.13 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2ju3 s THR 114 Cb -0.12 -1.47 0.07 0.00 0.01 0.00 0.00 72.50 70.99 2ju3 s THR 114 CO 0.03 0.08 0.06 -0.22 -0.69 0.00 0.00 174.62 173.88 2ju3 s LEU 115 N 1.54 4.32 0.00 4.42 0.20 0.98 -0.43 118.68 129.72 2ju3 s LEU 115 Ca -0.01 -1.49 0.00 0.00 0.69 0.00 0.00 54.13 53.32 2ju3 s LEU 115 Cb -0.16 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.84 2ju3 s LEU 115 CO -0.08 -0.34 0.00 0.61 -0.29 0.00 0.00 176.35 176.25 2ju3 n GLY 116 N 4.62 0.46 0.10 7.98 0.00 -1.26 0.02 105.19 117.10 2ju3 n GLY 116 Ca -0.10 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 2ju3 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ju3 n ASP 117 N 3.72 0.26 -4.68 1.61 5.68 -1.26 -4.92 116.55 116.96 2ju3 n ASP 117 Ca 0.00 0.09 -0.43 0.00 -0.50 0.00 0.00 54.79 53.95 2ju3 n ASP 117 Cb 0.00 0.72 -0.02 0.00 -1.14 0.00 0.00 41.12 40.67 2ju3 n ASP 117 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2ju3 s ILE 118 N -2.51 4.65 -0.04 2.12 -4.36 0.10 -5.03 121.20 116.13 2ju3 s ILE 118 Ca -0.10 1.95 0.00 0.00 -0.26 0.00 0.00 60.65 62.24 2ju3 s ILE 118 Cb 0.07 -4.25 -0.03 0.00 1.25 0.00 0.00 42.46 39.49 2ju3 s ILE 118 CO 0.82 -0.05 -0.01 0.54 0.24 0.00 0.00 174.94 176.48 2ju3 s VAL 119 N 2.44 4.14 -0.01 8.37 0.11 -1.26 -0.01 120.40 134.17 2ju3 s VAL 119 Ca 0.49 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2ju3 s VAL 119 Cb -0.19 -2.79 -0.00 0.00 -1.53 0.00 0.00 36.38 31.87 2ju3 s VAL 119 CO 0.15 0.49 -0.09 -0.47 -3.33 0.00 0.00 175.10 171.85 2ju3 s TYR 120 N -0.98 0.83 0.04 1.54 5.04 0.30 -4.68 117.35 119.44 2ju3 s TYR 120 Ca 0.16 -0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.66 2ju3 s TYR 120 Cb -0.11 -0.55 -0.02 0.00 0.35 0.00 0.00 41.96 41.63 2ju3 s TYR 120 CO 0.06 -0.03 -0.09 0.21 -1.34 0.00 0.00 175.55 174.36 2ju3 s LYS 121 N -0.13 0.62 0.02 4.97 2.36 -0.40 0.20 119.74 127.37 2ju3 s LYS 121 Ca 0.02 -0.71 0.01 0.00 -2.55 0.00 0.00 55.97 52.74 2ju3 s LYS 121 Cb -0.04 -0.49 -0.01 0.00 -1.05 0.00 0.00 37.83 36.23 2ju3 s LYS 121 CO -0.00 0.11 -0.05 1.03 1.55 0.00 0.00 175.35 177.99 2ju3 s ARG 122 N -1.34 0.36 -0.24 4.03 0.52 0.22 0.36 118.95 122.86 2ju3 s ARG 122 Ca -0.05 -0.41 -0.00 0.00 -0.52 0.00 0.00 55.73 54.74 2ju3 s ARG 122 Cb -0.09 -0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.22 2ju3 s ARG 122 CO 0.01 0.04 -0.10 0.08 0.02 0.00 0.00 175.30 175.35 2ju3 s VAL 123 N -0.75 2.55 -0.16 3.52 1.01 0.54 0.16 120.40 127.28 2ju3 s VAL 123 Ca -0.06 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 2ju3 s VAL 123 Cb -0.06 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2ju3 s VAL 123 CO -0.00 0.22 0.09 -0.44 0.00 0.00 0.00 175.10 174.97 2ju3 s SER 124 N 1.27 5.93 0.04 3.32 0.01 0.15 0.89 113.70 125.31 2ju3 s SER 124 Ca -0.01 0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.57 2ju3 s SER 124 Cb -0.17 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 2ju3 s SER 124 CO -0.06 0.27 -0.25 -0.75 0.41 0.00 0.00 173.24 172.85 2ju3 s LYS 125 N -0.19 1.74 0.23 12.44 2.36 -0.28 0.10 119.74 136.15 2ju3 s LYS 125 Ca 0.09 -1.06 -0.31 0.00 -2.55 0.00 0.00 55.97 52.13 2ju3 s LYS 125 Cb -0.12 -1.89 -0.13 0.00 -1.05 0.00 0.00 37.83 34.64 2ju3 s LYS 125 CO 0.01 0.49 1.43 0.54 1.55 0.00 0.00 175.35 179.37 2ju3 n ARG 126 N 1.85 2.05 0.00 4.03 5.12 -0.09 -1.41 116.66 128.21 2ju3 n ARG 126 Ca -0.17 0.73 0.11 0.00 -1.93 0.00 0.00 57.85 56.59 2ju3 n ARG 126 Cb 0.52 -2.40 0.09 0.00 -1.16 0.00 0.00 32.46 29.51 2ju3 n ARG 126 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14