#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx3 n THR 2 N 0.00 0.00 0.40 -2.13 -1.04 -1.26 -4.98 114.28 105.27 2jx3 n THR 2 Ca 0.00 -1.16 0.12 0.00 -2.04 0.00 0.00 64.05 60.97 2jx3 n THR 2 Cb 0.00 1.33 0.14 0.00 -1.82 0.00 0.00 70.33 69.98 2jx3 n THR 2 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jx3 h ILE 3 N 2.11 0.00 -3.26 12.58 2.04 -2.00 -3.43 117.51 125.55 2jx3 h ILE 3 Ca -0.19 -0.70 -0.62 0.00 1.00 0.00 0.00 64.86 64.36 2jx3 h ILE 3 Cb 1.13 1.33 -0.36 0.00 -0.74 0.00 0.00 36.82 38.18 2jx3 h ILE 3 CO 0.09 0.00 -0.83 0.00 0.00 0.00 0.00 178.15 177.42 2jx3 s ALA 4 N -3.23 2.00 -0.97 1.87 0.00 -1.26 -4.68 121.76 115.49 2jx3 s ALA 4 Ca 0.05 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2jx3 s ALA 4 Cb 0.11 -1.18 0.25 0.00 0.00 0.00 0.00 23.12 22.30 2jx3 s ALA 4 CO 0.73 -0.58 0.92 -0.65 0.00 0.00 0.00 175.76 176.17 2jx3 s GLN 5 N 1.41 3.79 0.00 0.00 1.11 -1.26 -4.24 119.66 120.46 2jx3 s GLN 5 Ca 0.02 -2.98 0.00 0.00 0.01 0.00 0.00 55.36 52.41 2jx3 s GLN 5 Cb -0.14 -4.37 0.00 0.00 -1.01 0.00 0.00 33.01 27.48 2jx3 s GLN 5 CO -0.10 -1.25 0.00 0.41 0.01 0.00 0.00 175.29 174.36 2jx3 n GLY 6 N 3.03 0.34 3.51 3.09 0.00 -1.26 -5.10 105.19 108.81 2jx3 n GLY 6 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2jx3 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jx3 s LYS 7 N 0.00 3.27 0.04 1.61 3.01 -1.26 -4.89 119.74 121.52 2jx3 s LYS 7 Ca 0.00 -0.41 0.10 0.00 -1.01 0.00 0.00 55.97 54.65 2jx3 s LYS 7 Cb 0.00 -3.97 0.45 0.00 -1.01 0.00 0.00 37.83 33.30 2jx3 s LYS 7 CO 0.00 -1.06 1.32 0.41 0.51 0.00 0.00 175.35 176.53 2jx3 n GLY 8 N 5.05 -0.82 0.00 -3.33 0.00 -1.26 -3.45 105.19 101.38 2jx3 n GLY 8 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jx3 n GLY 8 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jx3 n GLN 9 N -1.61 1.08 -2.12 1.61 6.02 -1.26 -4.64 117.38 116.46 2jx3 n GLN 9 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2jx3 n GLN 9 Cb 0.10 -0.75 -0.00 0.00 1.02 0.00 0.00 30.24 30.61 2jx3 n GLN 9 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2jx3 n LYS 10 N -1.58 -2.51 -1.19 -1.09 2.85 -1.22 0.28 118.16 113.69 2jx3 n LYS 10 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.20 2jx3 n LYS 10 Cb 0.25 -3.53 -0.03 0.00 -0.65 0.00 0.00 35.03 31.07 2jx3 n LYS 10 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jx3 n LEU 11 N -2.00 -0.29 0.00 -5.58 0.00 -1.24 -2.73 117.00 105.16 2jx3 n LEU 11 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 56.01 56.18 2jx3 n LEU 11 Cb 0.39 -1.61 0.00 0.00 0.00 0.00 0.00 43.42 42.20 2jx3 n LEU 11 CO 0.02 -0.53 -0.44 0.00 0.00 0.00 0.00 177.39 176.44 2jx3 h GLU 13 N 0.00 -0.01 -5.11 0.00 4.57 -1.51 -3.43 114.58 109.09 2jx3 h GLU 13 Ca 0.00 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.67 2jx3 h GLU 13 Cb 0.89 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.40 2jx3 h GLU 13 CO 0.00 0.45 1.72 0.44 -1.18 0.00 0.00 179.01 180.44 2jx3 n ILE 14 N -4.87 -0.01 -0.22 2.32 -5.35 -1.26 -4.73 119.36 105.24 2jx3 n ILE 14 Ca -0.08 -0.07 -0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2jx3 n ILE 14 Cb 0.24 -0.69 0.23 0.00 -1.74 0.00 0.00 39.64 37.68 2jx3 n ILE 14 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2jx3 h GLU 15 N 12.43 0.99 0.45 6.28 5.08 -1.89 0.22 114.58 138.15 2jx3 h GLU 15 Ca -0.07 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2jx3 h GLU 15 Cb 1.31 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jx3 h GLU 15 CO 1.35 0.69 -0.21 -0.09 -1.00 0.00 0.00 179.01 179.75 2jx3 h ARG 16 N 1.02 -0.58 0.15 2.33 9.65 -1.86 0.84 114.38 125.93 2jx3 h ARG 16 Ca 0.27 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.18 2jx3 h ARG 16 Cb -0.06 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2jx3 h ARG 16 CO -0.05 -0.27 -0.07 0.82 2.80 0.00 0.00 179.97 183.19 2jx3 h ILE 17 N -0.97 0.94 -0.88 1.20 5.03 -1.83 -2.84 117.51 118.17 2jx3 h ILE 17 Ca -0.06 -0.37 0.04 0.00 -0.12 0.00 0.00 64.86 64.35 2jx3 h ILE 17 Cb 0.57 1.17 -0.05 0.00 -3.03 0.00 0.00 36.82 35.48 2jx3 h ILE 17 CO 0.10 0.09 0.58 -0.74 -0.68 0.00 0.00 178.15 177.49 2jx3 h HIS 18 N -0.37 1.05 0.00 1.37 2.76 -0.66 -2.88 115.15 116.42 2jx3 h HIS 18 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2jx3 h HIS 18 Cb 0.30 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2jx3 h HIS 18 CO -0.01 0.60 0.00 0.34 -1.30 0.00 0.00 177.93 177.56 2jx3 n PHE 19 N -4.45 0.00 -0.35 5.26 7.35 0.29 -0.93 117.46 124.62 2jx3 n PHE 19 Ca 0.12 0.00 0.36 0.00 -0.76 0.00 0.00 57.45 57.17 2jx3 n PHE 19 Cb 0.12 -0.46 0.62 0.00 0.35 0.00 0.00 39.48 40.11 2jx3 n PHE 19 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2jx3 h PHE 20 N 0.00 0.00 0.00 -5.13 3.04 -1.44 2.04 116.94 115.45 2jx3 h PHE 20 Ca 0.00 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.76 2jx3 h PHE 20 Cb 0.00 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 2jx3 h PHE 20 CO -0.11 0.00 -0.92 -0.07 -2.02 0.00 0.00 178.31 175.19 2jx3 h LEU 21 N 0.00 0.00 -5.46 0.59 -0.00 -0.92 -3.37 115.31 106.15 2jx3 h LEU 21 Ca 0.61 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 58.22 2jx3 h LEU 21 Cb 2.96 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 43.63 2jx3 h LEU 21 CO -0.01 0.92 2.05 -1.20 -0.00 0.00 0.00 178.44 180.21 2jx3 n SER 22 N -3.35 3.71 0.00 -0.43 7.64 0.69 -3.66 113.62 118.22 2jx3 n SER 22 Ca 0.00 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.66 2jx3 n SER 22 Cb 0.90 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2jx3 n SER 22 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jx3 n LYS 23 N 4.22 2.54 -2.04 1.43 4.76 -1.26 -5.04 118.16 122.77 2jx3 n LYS 23 Ca 0.33 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.75 2jx3 n LYS 23 Cb 0.13 -0.98 -0.01 0.00 -1.84 0.00 0.00 35.03 32.33 2jx3 n LYS 23 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2jx3 n LYS 24 N -1.75 -3.28 -3.88 1.97 3.00 -1.24 -5.09 118.16 107.89 2jx3 n LYS 24 Ca 0.00 2.59 -0.18 0.00 -0.00 0.00 0.00 58.31 60.72 2jx3 n LYS 24 Cb 0.30 -3.48 -0.06 0.00 0.00 0.00 0.00 35.03 31.79 2jx3 n LYS 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2jx3 n LYS 25 N 1.18 0.47 0.01 1.64 3.00 -1.26 -5.09 118.16 118.11 2jx3 n LYS 25 Ca -0.13 -2.76 -0.03 0.00 -0.00 0.00 0.00 58.31 55.40 2jx3 n LYS 25 Cb 0.20 1.90 -0.01 0.00 0.00 0.00 0.00 35.03 37.12 2jx3 n LYS 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2jx3 n THR 26 N -0.62 1.30 0.03 3.15 -1.04 -1.26 -4.36 114.28 111.48 2jx3 n THR 26 Ca 0.01 0.33 -0.12 0.00 -2.04 0.00 0.00 64.05 62.23 2jx3 n THR 26 Cb 0.50 -1.80 -0.08 0.00 -1.82 0.00 0.00 70.33 67.13 2jx3 n THR 26 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2jx3 h ASP 27 N -0.27 -0.02 0.68 8.00 3.32 -1.99 -0.43 116.42 125.71 2jx3 h ASP 27 Ca -0.00 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 2jx3 h ASP 27 Cb 0.28 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2jx3 h ASP 27 CO -0.00 0.14 -0.50 -0.33 -1.72 0.00 0.00 179.24 176.82 2jx3 h GLU 28 N -0.18 -1.09 -0.78 3.56 3.07 -1.94 -1.82 114.58 115.39 2jx3 h GLU 28 Ca -0.00 0.07 0.19 0.00 -0.50 0.00 0.00 59.36 59.12 2jx3 h GLU 28 Cb 0.17 0.25 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 2jx3 h GLU 28 CO 0.00 -0.73 0.53 1.25 -1.40 0.00 0.00 179.01 178.67 2jx3 h LEU 29 N -1.14 0.24 0.00 1.33 7.12 -1.75 -2.23 115.31 118.89 2jx3 h LEU 29 Ca -0.09 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.94 2jx3 h LEU 29 Cb 0.94 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 2jx3 h LEU 29 CO 0.04 0.11 0.00 -1.14 -0.13 0.00 0.00 178.44 177.32 2jx3 n ARG 30 N -4.43 0.00 -0.27 1.25 0.63 -0.17 0.25 116.66 113.91 2jx3 n ARG 30 Ca 0.16 0.53 0.21 0.00 -0.92 0.00 0.00 57.85 57.83 2jx3 n ARG 30 Cb 0.68 -1.49 0.52 0.00 0.45 0.00 0.00 32.46 32.62 2jx3 n ARG 30 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2jx3 h ASN 31 N 0.00 0.40 0.03 6.15 -1.07 -1.29 0.66 115.58 120.46 2jx3 h ASN 31 Ca 0.00 0.05 -0.00 0.00 0.07 0.00 0.00 56.30 56.42 2jx3 h ASN 31 Cb 0.00 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 2jx3 h ASN 31 CO 0.00 0.13 -0.01 -0.07 0.07 0.00 0.00 177.43 177.55 2jx3 h LEU 32 N 0.38 -0.03 -2.66 6.14 3.38 -1.17 -2.70 115.31 118.65 2jx3 h LEU 32 Ca 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.48 2jx3 h LEU 32 Cb 1.33 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2jx3 h LEU 32 CO -0.20 -0.00 -0.00 -0.74 0.09 0.00 0.00 178.44 177.58 2jx3 h HIS 33 N -0.07 0.00 0.00 1.13 2.76 -0.05 0.19 115.15 119.10 2jx3 h HIS 33 Ca -0.00 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 2jx3 h HIS 33 Cb 0.03 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2jx3 h HIS 33 CO 0.09 0.00 -0.69 -0.22 -1.30 0.00 0.00 177.93 175.82 2jx3 h LYS 34 N 0.00 0.00 0.00 5.26 3.11 0.27 0.58 116.57 125.78 2jx3 h LYS 34 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jx3 h LYS 34 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2jx3 h LYS 34 CO 0.00 0.69 -0.91 -0.11 -2.81 0.00 0.00 179.45 176.30 2jx3 n LEU 35 N -3.60 1.86 0.18 5.20 7.94 -0.60 -3.10 117.00 124.88 2jx3 n LEU 35 Ca -0.00 0.31 -0.15 0.00 -1.11 0.00 0.00 56.01 55.06 2jx3 n LEU 35 Cb 0.70 -0.71 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 2jx3 n LEU 35 CO 0.43 -0.31 0.64 -0.07 -1.11 0.00 0.00 177.39 176.96 2jx3 h LEU 36 N -0.91 -0.96 -1.41 -1.96 3.38 -1.20 -3.14 115.31 109.12 2jx3 h LEU 36 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jx3 h LEU 36 Cb 0.91 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jx3 h LEU 36 CO 0.00 -0.46 -0.19 -1.22 0.09 0.00 0.00 178.44 176.66 2jx3 n TYR 37 N -5.44 0.00 -4.44 1.13 4.02 -1.16 -4.96 117.16 106.30 2jx3 n TYR 37 Ca -0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.41 2jx3 n TYR 37 Cb 0.35 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.60 2jx3 n TYR 37 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jx3 n ASN 38 N 0.60 -1.50 -3.79 7.72 5.15 0.18 -4.89 115.26 118.74 2jx3 n ASN 38 Ca 0.10 -1.21 -0.19 0.00 -0.60 0.00 0.00 54.58 52.68 2jx3 n ASN 38 Cb 0.47 -1.83 -0.09 0.00 -0.53 0.00 0.00 39.78 37.80 2jx3 n ASN 38 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2jx3 s ARG 39 N -7.20 1.65 -0.35 1.20 6.06 0.12 -4.94 118.95 115.49 2jx3 s ARG 39 Ca 0.64 -1.95 -0.29 0.00 -2.50 0.00 0.00 55.73 51.64 2jx3 s ARG 39 Cb -0.37 0.05 -0.00 0.00 0.06 0.00 0.00 34.95 34.69 2jx3 s ARG 39 CO 1.00 -0.52 1.46 -1.25 -2.50 0.00 0.00 175.30 173.49 2jx3 s PRO 40 N -3.71 3.66 -0.85 5.12 0.04 -1.26 -4.06 135.00 133.94 2jx3 s PRO 40 Ca 0.37 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.36 2jx3 s PRO 40 Cb 0.04 -4.01 -0.21 0.00 0.04 0.00 0.00 34.50 30.36 2jx3 s PRO 40 CO 0.20 -1.45 2.38 0.41 0.04 0.00 0.00 177.00 178.58 2jx3 n GLY 41 N 4.87 -0.27 3.88 0.56 0.00 -1.26 -4.67 105.19 108.29 2jx3 n GLY 41 Ca 0.17 0.40 -0.35 0.00 0.00 0.00 0.00 46.02 46.24 2jx3 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jx3 s THR 42 N 8.37 5.37 0.36 2.61 -4.23 -1.26 -4.65 115.64 122.20 2jx3 s THR 42 Ca 1.15 0.18 0.18 0.00 -1.18 0.00 0.00 61.69 62.02 2jx3 s THR 42 Cb -0.58 -3.52 0.35 0.00 1.34 0.00 0.00 72.50 70.09 2jx3 s THR 42 CO 0.35 0.46 1.62 0.58 -0.54 0.00 0.00 174.62 177.09 2jx3 h VAL 43 N 3.35 0.15 -0.04 2.29 2.07 -1.95 2.36 116.25 124.48 2jx3 h VAL 43 Ca -0.52 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 2jx3 h VAL 43 Cb 1.21 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2jx3 h VAL 43 CO 0.64 0.03 -0.42 0.28 0.02 0.00 0.00 177.57 178.11 2jx3 h SER 44 N 0.16 0.45 0.00 0.57 0.02 -1.97 -2.90 113.55 109.87 2jx3 h SER 44 Ca 0.79 -0.70 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2jx3 h SER 44 Cb 1.99 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 64.40 2jx3 h SER 44 CO -0.68 1.08 -0.14 0.28 -1.14 0.00 0.00 176.83 176.24 2jx3 h SER 45 N -0.15 0.00 -1.00 3.07 0.02 -0.85 -2.92 113.55 111.72 2jx3 h SER 45 Ca -0.04 -0.02 0.40 0.00 -0.84 0.00 0.00 61.79 61.30 2jx3 h SER 45 Cb 1.11 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.47 2jx3 h SER 45 CO 0.09 0.58 0.52 0.17 -1.14 0.00 0.00 176.83 177.04 2jx3 h LEU 46 N -1.00 0.30 0.14 5.07 8.10 0.36 1.22 115.31 129.50 2jx3 h LEU 46 Ca -0.00 0.25 -0.01 0.00 0.11 0.00 0.00 57.88 58.24 2jx3 h LEU 46 Cb 0.15 0.27 0.00 0.00 -0.44 0.00 0.00 40.66 40.64 2jx3 h LEU 46 CO -0.00 -0.41 -0.07 0.50 -4.11 0.00 0.00 178.44 174.36 2jx3 h LYS 47 N 0.03 -0.18 0.80 0.17 1.63 -1.54 -2.86 116.57 114.62 2jx3 h LYS 47 Ca 0.83 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.60 2jx3 h LYS 47 Cb 2.15 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 33.82 2jx3 h LYS 47 CO -0.76 -0.12 -0.39 -0.22 -3.45 0.00 0.00 179.45 174.51 2jx3 h LYS 48 N -0.34 -1.04 -1.00 1.90 1.63 -1.08 -2.88 116.57 113.76 2jx3 h LYS 48 Ca -0.02 0.07 0.11 0.00 -0.85 0.00 0.00 60.65 59.97 2jx3 h LYS 48 Cb 0.14 0.24 -0.14 0.00 -0.60 0.00 0.00 32.23 31.87 2jx3 h LYS 48 CO 0.03 -0.69 -0.52 0.09 -3.45 0.00 0.00 179.45 174.91 2jx3 n ASN 49 N -5.45 -0.91 -0.23 4.20 4.13 0.41 0.18 115.26 117.59 2jx3 n ASN 49 Ca -0.13 1.77 0.23 0.00 1.68 0.00 0.00 54.58 58.12 2jx3 n ASN 49 Cb 0.42 -0.29 0.59 0.00 -1.54 0.00 0.00 39.78 38.96 2jx3 n ASN 49 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2jx3 h VAL 50 N 0.00 0.61 -0.35 2.41 2.07 -1.52 0.27 116.25 119.74 2jx3 h VAL 50 Ca 0.23 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2jx3 h VAL 50 Cb 0.48 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2jx3 h VAL 50 CO -0.96 0.05 0.01 0.61 0.02 0.00 0.00 177.57 177.30 2jx3 n GLY 51 N -1.58 3.85 1.33 2.17 0.00 0.48 -4.48 105.19 106.96 2jx3 n GLY 51 Ca 0.20 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.23 2jx3 n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jx3 n GLN 52 N -0.29 0.23 0.24 1.61 1.13 0.32 -0.50 117.38 120.11 2jx3 n GLN 52 Ca 0.24 -2.15 0.16 0.00 -1.94 0.00 0.00 57.00 53.32 2jx3 n GLN 52 Cb 0.99 -0.25 0.84 0.00 0.11 0.00 0.00 30.24 31.93 2jx3 n GLN 52 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2jx3 h PHE 53 N 0.96 0.00 -1.00 1.08 3.57 -1.55 -3.40 116.94 116.60 2jx3 h PHE 53 Ca -0.19 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 60.99 2jx3 h PHE 53 Cb 1.75 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 40.36 2jx3 h PHE 53 CO 0.26 0.00 -0.29 -1.13 -2.23 0.00 0.00 178.31 174.91 2jx3 n SER 54 N -2.62 -4.79 0.00 0.41 3.41 -1.25 -4.69 113.62 104.09 2jx3 n SER 54 Ca -0.02 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2jx3 n SER 54 Cb 0.07 -4.11 0.00 0.00 -0.26 0.00 0.00 64.21 59.91 2jx3 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jx3 n GLY 55 N -0.19 0.00 0.00 5.00 0.00 -1.26 -4.75 105.19 103.99 2jx3 n GLY 55 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2jx3 n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jx3 n PHE 56 N -1.56 0.00 -0.74 1.61 3.01 -1.25 -3.06 117.46 115.47 2jx3 n PHE 56 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 2jx3 n PHE 56 Cb 0.22 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.59 2jx3 n PHE 56 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2jx3 n PRO 57 N -0.57 1.67 0.00 -1.08 -0.04 -1.26 -1.39 135.00 132.33 2jx3 n PRO 57 Ca 0.00 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2jx3 n PRO 57 Cb 0.00 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 2jx3 n PRO 57 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2jx3 n PHE 58 N 3.03 0.00 -4.20 0.54 -1.74 -1.17 -4.77 117.46 109.14 2jx3 n PHE 58 Ca 0.36 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 57.01 2jx3 n PHE 58 Cb 0.50 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.43 2jx3 n PHE 58 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 2jx3 s GLU 59 N 4.25 2.31 0.00 3.97 8.01 -1.26 -4.91 118.70 131.07 2jx3 s GLU 59 Ca 0.00 -1.53 0.00 0.00 0.01 0.00 0.00 54.97 53.45 2jx3 s GLU 59 Cb 0.00 -2.14 0.00 0.00 -4.31 0.00 0.00 34.13 27.68 2jx3 s GLU 59 CO 0.00 0.20 0.00 0.36 0.01 0.00 0.00 175.26 175.83 2jx3 n LYS 60 N -1.03 3.63 -2.05 1.61 -0.00 -1.26 -4.73 118.16 114.32 2jx3 n LYS 60 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.23 2jx3 n LYS 60 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.63 2jx3 n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jx3 n GLY 61 N 4.66 -0.26 3.50 2.58 0.00 -1.26 -4.87 105.19 109.55 2jx3 n GLY 61 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2jx3 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jx3 s SER 62 N -1.78 3.35 0.32 1.61 1.04 -1.26 -4.96 113.70 112.02 2jx3 s SER 62 Ca 0.00 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.29 2jx3 s SER 62 Cb 0.00 -0.28 0.88 0.00 0.10 0.00 0.00 66.02 66.72 2jx3 s SER 62 CO 0.00 -0.26 1.58 0.58 0.98 0.00 0.00 173.24 176.12 2jx3 h VAL 63 N 2.12 0.04 -0.89 5.02 2.07 -1.98 2.15 116.25 124.78 2jx3 h VAL 63 Ca -0.41 -0.01 0.18 0.00 0.82 0.00 0.00 66.70 67.27 2jx3 h VAL 63 Cb 1.24 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 2jx3 h VAL 63 CO 0.69 0.00 0.58 0.06 0.02 0.00 0.00 177.57 178.93 2jx3 h GLN 64 N 0.03 0.52 -0.02 1.57 3.07 -1.95 -2.50 115.11 115.84 2jx3 h GLN 64 Ca 0.65 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 59.36 2jx3 h GLN 64 Cb 1.44 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 28.88 2jx3 h GLN 64 CO -0.87 0.34 -0.02 -0.92 0.09 0.00 0.00 178.83 177.46 2jx3 h TYR 65 N 0.54 -0.06 -0.84 0.06 5.03 0.32 0.74 116.97 122.76 2jx3 h TYR 65 Ca 0.46 0.00 0.21 0.00 2.58 0.00 0.00 58.73 61.99 2jx3 h TYR 65 Cb 0.96 0.03 -0.14 0.00 1.55 0.00 0.00 36.73 39.13 2jx3 h TYR 65 CO -0.00 -0.02 0.15 0.87 -1.32 0.00 0.00 178.16 177.84 2jx3 h LYS 66 N -0.01 0.16 -0.42 1.82 6.56 -1.52 0.35 116.57 123.50 2jx3 h LYS 66 Ca 0.00 -0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.63 2jx3 h LYS 66 Cb 0.02 -0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 31.57 2jx3 h LYS 66 CO -0.02 0.11 -0.50 -0.22 -2.06 0.00 0.00 179.45 176.75 2jx3 h LYS 67 N 0.16 -0.31 -0.93 3.15 3.64 -0.71 0.38 116.57 121.97 2jx3 h LYS 67 Ca 0.51 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 60.11 2jx3 h LYS 67 Cb 0.98 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.76 2jx3 h LYS 67 CO -0.67 -0.20 0.48 0.87 -2.27 0.00 0.00 179.45 177.66 2jx3 h LYS 68 N -0.32 0.53 -0.51 1.90 6.56 0.48 0.44 116.57 125.65 2jx3 h LYS 68 Ca 0.07 -0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.68 2jx3 h LYS 68 Cb 0.51 -0.12 -0.07 0.00 -0.57 0.00 0.00 32.23 31.98 2jx3 h LYS 68 CO -0.57 0.35 -0.40 1.49 -2.06 0.00 0.00 179.45 178.27 2jx3 h GLU 69 N 0.55 -0.11 0.06 3.15 4.81 0.32 1.18 114.58 124.53 2jx3 h GLU 69 Ca 0.56 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.80 2jx3 h GLU 69 Cb 0.98 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2jx3 h GLU 69 CO -0.46 -0.08 -0.03 1.49 -0.73 0.00 0.00 179.01 179.21 2jx3 h GLU 70 N -0.12 -0.08 -0.79 1.92 4.57 -1.22 -2.89 114.58 115.97 2jx3 h GLU 70 Ca 0.08 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.39 2jx3 h GLU 70 Cb 0.34 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.86 2jx3 h GLU 70 CO -0.55 0.50 0.40 0.52 -1.18 0.00 0.00 179.01 178.71 2jx3 h MET 71 N -0.90 0.62 -0.04 1.92 2.86 -0.82 0.23 114.93 118.79 2jx3 h MET 71 Ca -0.01 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2jx3 h MET 71 Cb 0.61 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2jx3 h MET 71 CO 0.01 0.41 -0.34 1.37 1.06 0.00 0.00 176.91 179.42 2jx3 h LEU 72 N 0.63 0.08 0.00 1.22 8.10 0.13 -2.30 115.31 123.17 2jx3 h LEU 72 Ca 0.41 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.37 2jx3 h LEU 72 Cb 0.49 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2jx3 h LEU 72 CO -0.31 0.42 0.00 0.29 -4.11 0.00 0.00 178.44 174.73 2jx3 n LYS 73 N -4.12 0.00 -0.19 0.17 4.76 0.06 0.26 118.16 119.10 2jx3 n LYS 73 Ca -0.02 0.47 -0.02 0.00 -2.87 0.00 0.00 58.31 55.87 2jx3 n LYS 73 Cb 0.39 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 32.16 2jx3 n LYS 73 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jx3 h LYS 74 N 0.00 -0.03 0.00 1.97 3.64 -1.58 1.20 116.57 121.76 2jx3 h LYS 74 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jx3 h LYS 74 Cb 0.00 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2jx3 h LYS 74 CO 0.00 -0.02 -0.07 0.74 -2.27 0.00 0.00 179.45 177.84 2jx3 h PHE 75 N -0.03 0.00 -0.36 1.91 0.04 -1.35 -2.60 116.94 114.56 2jx3 h PHE 75 Ca 0.28 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.11 2jx3 h PHE 75 Cb 0.45 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.52 2jx3 h PHE 75 CO -0.50 0.07 -0.39 -0.09 -0.60 0.00 0.00 178.31 176.79 2jx3 h ARG 76 N 0.00 -0.32 0.70 1.51 2.43 1.32 1.73 114.38 121.74 2jx3 h ARG 76 Ca -0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2jx3 h ARG 76 Cb 0.12 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2jx3 h ARG 76 CO 0.01 -0.21 -0.33 -0.91 -1.51 0.00 0.00 179.97 177.01 2jx3 h ASN 77 N -0.33 -0.79 0.07 -3.80 2.35 -1.33 -2.85 115.58 108.91 2jx3 h ASN 77 Ca 0.14 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2jx3 h ASN 77 Cb 0.58 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2jx3 h ASN 77 CO -0.53 -0.52 -0.03 0.00 -1.65 0.00 0.00 177.43 174.70 2jx3 h ALA 78 N -1.47 -0.33 -0.93 -0.83 0.00 -1.37 -2.98 119.26 111.36 2jx3 h ALA 78 Ca -0.10 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.93 2jx3 h ALA 78 Cb 0.72 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 2jx3 h ALA 78 CO 0.16 -0.32 -0.39 -0.12 0.00 0.00 0.00 179.25 178.58 2jx3 n MET 79 N -2.70 -0.24 -0.30 0.00 0.00 0.58 0.12 117.12 114.57 2jx3 n MET 79 Ca -0.01 1.42 0.01 0.00 0.00 0.00 0.00 57.70 59.12 2jx3 n MET 79 Cb 0.04 -2.11 0.14 0.00 0.00 0.00 0.00 33.22 31.29 2jx3 n MET 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2jx3 h LEU 80 N 0.00 0.78 -0.59 -0.89 3.38 -0.96 0.66 115.31 117.69 2jx3 h LEU 80 Ca 0.30 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.35 2jx3 h LEU 80 Cb 0.53 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 2jx3 h LEU 80 CO -0.91 0.49 -0.44 0.50 0.09 0.00 0.00 178.44 178.17 2jx3 h LYS 81 N 0.91 -0.11 0.15 1.13 1.63 0.10 1.09 116.57 121.48 2jx3 h LYS 81 Ca 0.37 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.17 2jx3 h LYS 81 Cb 0.22 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2jx3 h LYS 81 CO -0.19 -0.07 -0.07 0.66 -3.45 0.00 0.00 179.45 176.32 2jx3 h SER 82 N -0.11 -0.18 -0.23 4.20 4.64 -1.29 -2.91 113.55 117.66 2jx3 h SER 82 Ca 0.10 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2jx3 h SER 82 Cb 0.36 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 2jx3 h SER 82 CO -0.61 0.29 -0.24 0.40 -0.87 0.00 0.00 176.83 175.80 2jx3 h ILE 83 N -1.05 0.00 -0.94 0.95 1.08 0.44 0.29 117.51 118.28 2jx3 h ILE 83 Ca -0.02 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.72 2jx3 h ILE 83 Cb 0.16 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.76 2jx3 h ILE 83 CO 0.03 0.00 0.38 0.00 -0.69 0.00 0.00 178.15 177.88 2jx3 h GLU 85 N 0.26 0.00 -1.22 0.00 4.57 -0.21 -3.06 114.58 114.91 2jx3 h GLU 85 Ca 0.64 0.00 -0.39 0.00 -1.18 0.00 0.00 59.36 58.43 2jx3 h GLU 85 Cb 1.37 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.66 2jx3 h GLU 85 CO -0.64 0.00 -0.90 0.28 -1.18 0.00 0.00 179.01 176.56 2jx3 n VAL 86 N -3.93 -0.11 -2.77 0.32 0.31 0.56 -4.93 118.33 107.77 2jx3 n VAL 86 Ca 0.15 -3.38 0.00 0.00 -0.01 0.00 0.00 64.34 61.10 2jx3 n VAL 86 Cb 0.91 0.40 0.05 0.00 -0.91 0.00 0.00 33.84 34.29 2jx3 n VAL 86 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jx3 n LEU 87 N 0.34 1.18 -1.60 7.52 7.94 -0.35 -4.45 117.00 127.58 2jx3 n LEU 87 Ca 0.18 -2.89 -0.14 0.00 -1.11 0.00 0.00 56.01 52.04 2jx3 n LEU 87 Cb 0.67 0.38 -0.01 0.00 0.53 0.00 0.00 43.42 44.99 2jx3 n LEU 87 CO 0.14 1.03 -0.18 -0.67 -1.11 0.00 0.00 177.39 176.60 2jx3 n ASP 88 N -0.54 -4.35 -2.92 1.96 -0.08 -1.26 -4.95 116.55 104.41 2jx3 n ASP 88 Ca 0.04 -0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.15 2jx3 n ASP 88 Cb 0.85 -3.50 -0.06 0.00 2.34 0.00 0.00 41.12 40.75 2jx3 n ASP 88 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jx3 n LEU 89 N -2.02 0.00 -0.41 -2.67 4.32 -1.26 -5.07 117.00 109.89 2jx3 n LEU 89 Ca -0.17 -2.43 0.00 0.00 -0.02 0.00 0.00 56.01 53.39 2jx3 n LEU 89 Cb 0.62 1.12 0.00 0.00 -1.62 0.00 0.00 43.42 43.55 2jx3 n LEU 89 CO 0.20 -0.39 0.23 -0.62 -1.22 0.00 0.00 177.39 175.58 2jx3 n GLU 90 N -0.56 0.00 -2.18 3.23 1.02 -1.26 -4.83 120.64 116.05 2jx3 n GLU 90 Ca 0.02 -0.57 -0.03 0.00 -0.02 0.00 0.00 57.16 56.57 2jx3 n GLU 90 Cb 0.47 -0.31 -0.02 0.00 -0.02 0.00 0.00 31.44 31.55 2jx3 n GLU 90 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jx3 n ARG 91 N 0.00 -3.44 -2.65 3.49 0.63 -1.26 -5.06 116.66 108.36 2jx3 n ARG 91 Ca 0.00 2.70 -0.03 0.00 -0.92 0.00 0.00 57.85 59.60 2jx3 n ARG 91 Cb 0.60 -3.80 0.04 0.00 0.45 0.00 0.00 32.46 29.75 2jx3 n ARG 91 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2jx3 n SER 92 N 1.25 -1.02 -3.70 6.15 3.41 -1.26 -5.17 113.62 113.28 2jx3 n SER 92 Ca -0.22 -0.64 -0.03 0.00 -0.26 0.00 0.00 58.87 57.72 2jx3 n SER 92 Cb 0.34 0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 64.79 2jx3 n SER 92 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jx3 s GLY 93 N 0.88 -0.20 0.51 5.00 0.00 -1.26 -5.05 107.32 107.21 2jx3 s GLY 93 Ca 0.22 0.09 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2jx3 s GLY 93 CO -0.11 0.23 0.74 0.14 0.00 0.00 0.00 173.10 174.10 2jx3 s VAL 94 N -3.12 3.24 0.09 1.40 1.01 -1.26 -4.77 120.40 116.98 2jx3 s VAL 94 Ca 0.13 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2jx3 s VAL 94 Cb -0.01 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2jx3 s VAL 94 CO 0.02 -0.15 1.31 0.78 0.00 0.00 0.00 175.10 177.06 2jx3 h ASN 95 N 0.18 -1.18 -0.48 3.32 4.21 -2.02 0.49 115.58 120.10 2jx3 h ASN 95 Ca -0.44 0.17 0.03 0.00 1.21 0.00 0.00 56.30 57.27 2jx3 h ASN 95 Cb 1.28 0.51 -0.03 0.00 -1.12 0.00 0.00 38.32 38.95 2jx3 h ASN 95 CO 0.55 -0.16 0.27 0.28 -1.29 0.00 0.00 177.43 177.08 2jx3 h SER 96 N -0.07 0.43 -0.84 5.81 0.02 -2.00 -1.76 113.55 115.14 2jx3 h SER 96 Ca 0.08 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.16 2jx3 h SER 96 Cb 0.26 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 2jx3 h SER 96 CO -0.47 0.30 0.55 -0.08 -1.14 0.00 0.00 176.83 175.99 2jx3 h GLU 97 N 0.54 0.67 0.44 3.45 4.81 -1.41 0.20 114.58 123.29 2jx3 h GLU 97 Ca 0.20 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2jx3 h GLU 97 Cb 0.04 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2jx3 h GLU 97 CO -0.10 0.44 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.34 2jx3 h LEU 98 N 0.69 -0.50 0.36 1.64 3.38 0.79 -0.32 115.31 121.33 2jx3 h LEU 98 Ca 0.41 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2jx3 h LEU 98 Cb 0.62 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2jx3 h LEU 98 CO -0.17 -0.20 -0.33 0.58 0.09 0.00 0.00 178.44 178.41 2jx3 h VAL 99 N -0.82 0.32 -0.57 1.22 2.07 -1.10 -0.25 116.25 117.11 2jx3 h VAL 99 Ca -0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.63 2jx3 h VAL 99 Cb 0.55 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2jx3 h VAL 99 CO 0.10 0.00 0.49 0.50 0.02 0.00 0.00 177.57 178.68 2jx3 h LYS 100 N -0.71 0.00 -0.51 1.57 3.64 -0.99 0.48 116.57 120.05 2jx3 h LYS 100 Ca -0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2jx3 h LYS 100 Cb 0.63 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2jx3 h LYS 100 CO -0.04 0.00 0.14 -0.09 -2.27 0.00 0.00 179.45 177.19 2jx3 h ARG 101 N 0.00 0.80 -0.04 1.90 9.65 0.79 -2.16 114.38 125.32 2jx3 h ARG 101 Ca 0.27 -0.18 -0.04 0.00 -1.10 0.00 0.00 59.98 58.93 2jx3 h ARG 101 Cb 1.24 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 2jx3 h ARG 101 CO -0.00 0.76 -0.17 -0.84 2.80 0.00 0.00 179.97 182.51 2jx3 h ILE 102 N 0.70 1.15 0.00 1.20 -0.00 -0.61 -0.24 117.51 119.71 2jx3 h ILE 102 Ca 0.16 -0.69 -0.04 0.00 -0.00 0.00 0.00 64.86 64.29 2jx3 h ILE 102 Cb 0.30 1.32 -0.01 0.00 -0.00 0.00 0.00 36.82 38.43 2jx3 h ILE 102 CO -0.00 0.20 -0.18 -0.07 -0.00 0.00 0.00 178.15 178.10 2jx3 h LEU 103 N 0.06 0.00 0.00 0.16 3.38 -1.20 0.47 115.31 118.18 2jx3 h LEU 103 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jx3 h LEU 103 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jx3 h LEU 103 CO 0.02 0.18 -1.09 0.59 0.09 0.00 0.00 178.44 178.24 2jx3 n ASN 104 N -3.53 0.64 0.04 -0.43 3.02 -0.26 -4.15 115.26 110.58 2jx3 n ASN 104 Ca -0.01 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 2jx3 n ASN 104 Cb 0.33 0.95 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 2jx3 n ASN 104 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2jx3 n PHE 105 N -1.83 -0.08 0.01 3.10 -0.00 -0.27 -4.25 117.46 114.14 2jx3 n PHE 105 Ca 0.02 0.01 0.13 0.00 -0.00 0.00 0.00 57.45 57.61 2jx3 n PHE 105 Cb 0.41 0.03 0.57 0.00 -0.00 0.00 0.00 39.48 40.49 2jx3 n PHE 105 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2jx3 h LEU 106 N 0.00 0.21 0.00 -2.13 -0.00 -0.32 0.28 115.31 113.35 2jx3 h LEU 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jx3 h LEU 106 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2jx3 h LEU 106 CO 0.00 0.13 -0.31 0.24 -0.00 0.00 0.00 178.44 178.50 2jx3 h MET 107 N 0.24 0.00 0.00 1.13 2.86 -1.35 -3.33 114.93 114.48 2jx3 h MET 107 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2jx3 h MET 107 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2jx3 h MET 107 CO -0.04 0.00 0.00 -2.39 1.06 0.00 0.00 176.91 175.54 2jx3 n HIS 108 N -2.81 0.00 0.00 -0.22 1.44 0.66 -3.19 115.22 111.09 2jx3 n HIS 108 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2jx3 n HIS 108 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2jx3 n HIS 108 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2jx3 n PRO 109 N 0.00 0.00 -0.77 -1.40 -0.04 0.65 -3.97 135.00 129.47 2jx3 n PRO 109 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2jx3 n PRO 109 Cb 0.00 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 2jx3 n PRO 109 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63