#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 0.36 -0.09 1.97 -1.04 -1.26 -4.94 114.28 109.28 2jx3 n THR 2 Ca 0.00 -3.61 -0.18 0.00 -2.04 0.00 0.00 64.05 58.22 2jx3 n THR 2 Cb 0.00 0.30 -0.11 0.00 -1.82 0.00 0.00 70.33 68.70 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 2.03 1.08 -2.11 12.58 2.04 -1.98 -3.48 117.51 127.66 2jx3 h ILE 3 Ca -0.02 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.72 2jx3 h ILE 3 Cb 1.08 2.36 -0.22 0.00 -0.74 0.00 0.00 36.82 39.30 2jx3 h ILE 3 CO 0.45 0.37 -0.05 0.00 0.00 0.00 0.00 178.15 178.92 2jx3 s ALA 4 N -2.35 -1.75 0.00 1.87 0.00 -1.26 -4.56 121.76 113.70 2jx3 s ALA 4 Ca -0.25 2.26 0.09 0.00 0.00 0.00 0.00 51.96 54.07 2jx3 s ALA 4 Cb 0.03 -1.39 0.16 0.00 0.00 0.00 0.00 23.12 21.92 2jx3 s ALA 4 CO 0.58 -0.43 1.06 1.04 0.00 0.00 0.00 175.76 178.01 2jx3 n GLN 5 N 4.46 0.00 -0.06 0.00 6.02 -1.26 -4.80 117.38 121.73 2jx3 n GLN 5 Ca -0.19 -1.36 0.00 0.00 -0.01 0.00 0.00 57.00 55.43 2jx3 n GLN 5 Cb 0.57 -0.32 0.00 0.00 1.02 0.00 0.00 30.24 31.51 2jx3 n GLN 5 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jx3 n GLY 6 N 0.18 -2.08 3.80 1.08 0.00 -1.26 -5.08 105.19 101.83 2jx3 n GLY 6 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 3.56 0.26 1.61 -0.14 -1.26 -4.98 119.74 118.79 2jx3 s LYS 7 Ca 0.00 -0.20 -0.03 0.00 -1.36 0.00 0.00 55.97 54.37 2jx3 s LYS 7 Cb 0.00 -3.18 0.55 0.00 -1.68 0.00 0.00 37.83 33.52 2jx3 s LYS 7 CO 0.00 0.63 1.64 0.78 -0.76 0.00 0.00 175.35 177.65 2jx3 h GLY 8 N 5.47 1.06 -0.77 -3.33 0.00 -1.98 -3.31 103.07 100.21 2jx3 h GLY 8 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2jx3 h GLY 8 CO 0.62 -0.31 -0.16 0.61 0.00 0.00 0.00 176.54 177.30 2jx3 n GLN 9 N -5.28 0.00 0.00 4.80 0.00 -1.26 -5.01 117.38 110.63 2jx3 n GLN 9 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 57.00 56.81 2jx3 n GLN 9 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 30.24 30.59 2jx3 n GLN 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2jx3 n LYS 10 N 0.00 0.00 -0.00 2.61 0.00 -1.25 -2.64 118.16 116.88 2jx3 n LYS 10 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 2jx3 n LYS 10 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.54 2jx3 n LYS 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jx3 n LEU 11 N 0.00 0.14 -0.09 -5.58 4.77 -1.26 -4.03 117.00 110.96 2jx3 n LEU 11 Ca 0.00 -0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 55.61 2jx3 n LEU 11 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2jx3 n LEU 11 CO 0.00 0.04 -0.36 0.00 -1.33 0.00 0.00 177.39 175.73 2jx3 h GLU 13 N -1.00 -0.13 -5.12 0.00 3.07 -1.76 -3.36 114.58 106.28 2jx3 h GLU 13 Ca -0.24 0.01 -0.50 0.00 -0.50 0.00 0.00 59.36 58.13 2jx3 h GLU 13 Cb 1.09 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.96 2jx3 h GLU 13 CO -0.14 -0.08 1.73 0.44 -1.40 0.00 0.00 179.01 179.55 2jx3 n ILE 14 N -4.43 -0.01 -0.27 3.13 -5.35 -1.21 -4.74 119.36 106.48 2jx3 n ILE 14 Ca -0.01 -0.12 -0.06 0.00 -0.27 0.00 0.00 62.75 62.29 2jx3 n ILE 14 Cb 0.19 -0.85 0.06 0.00 -1.74 0.00 0.00 39.64 37.30 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 13.07 1.11 0.66 6.28 4.39 -1.92 0.12 114.58 138.29 2jx3 h GLU 15 Ca -0.08 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2jx3 h GLU 15 Cb 1.31 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2jx3 h GLU 15 CO 1.35 0.91 -0.31 -0.09 -1.16 0.00 0.00 179.01 179.70 2jx3 h ARG 16 N 1.08 -0.85 0.64 2.33 2.43 -1.93 0.26 114.38 118.34 2jx3 h ARG 16 Ca 0.25 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2jx3 h ARG 16 Cb 0.20 0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2jx3 h ARG 16 CO -0.02 -0.53 -0.31 0.82 -1.51 0.00 0.00 179.97 178.42 2jx3 h ILE 17 N -1.06 0.33 -0.73 1.20 5.03 -1.91 -2.67 117.51 117.71 2jx3 h ILE 17 Ca -0.09 -0.12 0.12 0.00 -0.12 0.00 0.00 64.86 64.65 2jx3 h ILE 17 Cb 0.71 0.38 -0.05 0.00 -3.03 0.00 0.00 36.82 34.83 2jx3 h ILE 17 CO 0.15 0.02 0.48 -0.74 -0.68 0.00 0.00 178.15 177.38 2jx3 h HIS 18 N -0.95 0.55 0.00 1.37 2.76 -0.83 -2.90 115.15 115.14 2jx3 h HIS 18 Ca -0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2jx3 h HIS 18 Cb 0.69 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.47 2jx3 h HIS 18 CO -0.02 0.23 0.00 0.34 -1.30 0.00 0.00 177.93 177.19 2jx3 n PHE 19 N -4.49 0.00 -0.39 5.26 7.35 0.91 -1.23 117.46 124.88 2jx3 n PHE 19 Ca 0.13 0.00 0.37 0.00 -0.76 0.00 0.00 57.45 57.19 2jx3 n PHE 19 Cb 0.44 -0.27 0.58 0.00 0.35 0.00 0.00 39.48 40.59 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 -1.43 2.10 116.94 115.52 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 0.06 0.00 -0.91 -0.07 -2.02 0.00 0.00 178.31 175.37 2jx3 h LEU 21 N 0.00 0.00 -1.63 0.59 -0.00 -1.21 -3.22 115.31 109.84 2jx3 h LEU 21 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.53 2jx3 h LEU 21 Cb 3.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 43.88 2jx3 h LEU 21 CO -0.01 0.89 0.23 0.28 -0.00 0.00 0.00 178.44 179.83 2jx3 h SER 22 N 0.00 0.00 -0.32 -0.43 0.02 0.49 -1.09 113.55 112.22 2jx3 h SER 22 Ca -0.02 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2jx3 h SER 22 Cb 1.69 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.21 2jx3 h SER 22 CO 0.11 0.00 0.21 0.11 -1.14 0.00 0.00 176.83 176.12 2jx3 h LYS 23 N 0.00 0.36 -4.47 3.45 1.57 -1.64 -3.48 116.57 112.36 2jx3 h LYS 23 Ca 0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2jx3 h LYS 23 Cb 0.46 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 2jx3 h LYS 23 CO 0.00 0.24 -1.14 1.17 -0.57 0.00 0.00 179.45 179.15 2jx3 n LYS 24 N -4.49 -3.31 -3.98 3.15 3.00 -0.41 -5.00 118.16 107.11 2jx3 n LYS 24 Ca 0.02 2.63 -0.34 0.00 -0.00 0.00 0.00 58.31 60.62 2jx3 n LYS 24 Cb 0.11 -4.03 -0.15 0.00 0.00 0.00 0.00 35.03 30.97 2jx3 n LYS 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2jx3 s LYS 25 N -0.81 3.22 0.10 1.64 2.20 -1.26 -5.02 119.74 119.80 2jx3 s LYS 25 Ca -0.19 -0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 54.44 2jx3 s LYS 25 Cb 0.01 -2.85 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 2jx3 s LYS 25 CO 0.59 -0.21 1.44 1.79 -0.36 0.00 0.00 175.35 178.60 2jx3 h THR 26 N 5.81 0.00 -0.47 3.43 1.35 -1.97 1.45 112.91 122.52 2jx3 h THR 26 Ca -0.43 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.51 2jx3 h THR 26 Cb 1.15 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 67.47 2jx3 h THR 26 CO 0.62 0.00 -0.39 0.44 -0.25 0.00 0.00 175.52 175.94 2jx3 h ASP 27 N -0.44 -1.30 0.18 5.36 3.32 -1.99 0.35 116.42 121.90 2jx3 h ASP 27 Ca 0.03 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2jx3 h ASP 27 Cb 0.53 0.59 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2jx3 h ASP 27 CO -0.38 -0.34 -0.09 -0.08 -1.72 0.00 0.00 179.24 176.63 2jx3 h GLU 28 N -0.26 -0.24 -0.86 3.56 4.81 -1.69 -2.23 114.58 117.67 2jx3 h GLU 28 Ca 0.17 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.59 2jx3 h GLU 28 Cb 0.56 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 2jx3 h GLU 28 CO -0.61 -0.16 0.56 1.25 -0.73 0.00 0.00 179.01 179.33 2jx3 h LEU 29 N -0.25 0.45 0.00 1.64 7.12 0.31 0.26 115.31 124.84 2jx3 h LEU 29 Ca -0.02 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2jx3 h LEU 29 Cb 0.19 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2jx3 h LEU 29 CO 0.04 0.21 0.00 0.54 -0.13 0.00 0.00 178.44 179.09 2jx3 n ARG 30 N -4.51 0.00 -0.26 1.25 5.12 0.11 -0.37 116.66 118.00 2jx3 n ARG 30 Ca 0.17 0.39 0.14 0.00 -1.93 0.00 0.00 57.85 56.63 2jx3 n ARG 30 Cb 0.60 -1.27 0.42 0.00 -1.16 0.00 0.00 32.46 31.05 2jx3 n ARG 30 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 2jx3 h ASN 31 N 0.00 0.57 0.17 0.55 7.08 -1.41 0.57 115.58 123.10 2jx3 h ASN 31 Ca 0.00 0.04 -0.01 0.00 -3.08 0.00 0.00 56.30 53.26 2jx3 h ASN 31 Cb 0.00 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 2jx3 h ASN 31 CO 0.00 0.26 -0.08 -0.07 -2.08 0.00 0.00 177.43 175.46 2jx3 h LEU 32 N 0.59 -0.19 -2.55 6.14 3.38 -0.96 -2.52 115.31 119.20 2jx3 h LEU 32 Ca 0.46 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 2jx3 h LEU 32 Cb 0.88 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2jx3 h LEU 32 CO -0.20 -0.06 -0.01 -0.74 0.09 0.00 0.00 178.44 177.51 2jx3 h HIS 33 N -0.37 0.00 -0.22 1.13 2.76 -0.58 1.55 115.15 119.41 2jx3 h HIS 33 Ca -0.02 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.95 2jx3 h HIS 33 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.14 2jx3 h HIS 33 CO 0.08 0.01 -0.62 -0.22 -1.30 0.00 0.00 177.93 175.88 2jx3 h LYS 34 N 0.00 0.77 0.00 5.26 3.11 0.13 0.82 116.57 126.66 2jx3 h LYS 34 Ca -0.00 -0.54 -0.20 0.00 -2.81 0.00 0.00 60.65 57.10 2jx3 h LYS 34 Cb 0.05 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 2jx3 h LYS 34 CO 0.00 1.16 -1.71 -0.11 -2.81 0.00 0.00 179.45 175.98 2jx3 n LEU 35 N -3.97 1.83 0.15 5.20 0.00 -0.86 -3.24 117.00 116.12 2jx3 n LEU 35 Ca -0.05 0.06 -0.14 0.00 0.00 0.00 0.00 56.01 55.88 2jx3 n LEU 35 Cb 0.66 -0.40 -0.06 0.00 0.00 0.00 0.00 43.42 43.62 2jx3 n LEU 35 CO 0.50 0.46 0.65 0.25 0.00 0.00 0.00 177.39 179.26 2jx3 h LEU 36 N -0.26 -0.89 -1.24 -1.96 5.85 0.20 -3.15 115.31 113.86 2jx3 h LEU 36 Ca -0.30 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2jx3 h LEU 36 Cb 1.35 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.70 2jx3 h LEU 36 CO -0.13 -0.42 -0.16 -1.22 -0.34 0.00 0.00 178.44 176.16 2jx3 n TYR 37 N -5.42 0.00 -3.66 1.25 4.01 -1.15 -4.97 117.16 107.22 2jx3 n TYR 37 Ca -0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.39 2jx3 n TYR 37 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 2jx3 n TYR 37 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jx3 n ASN 38 N 0.38 -4.46 -3.93 7.72 3.02 0.32 -4.94 115.26 113.37 2jx3 n ASN 38 Ca 0.08 -0.61 -0.16 0.00 -0.03 0.00 0.00 54.58 53.86 2jx3 n ASN 38 Cb 0.37 -3.61 -0.09 0.00 -0.61 0.00 0.00 39.78 35.83 2jx3 n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jx3 s ARG 39 N -6.34 1.45 -0.02 3.52 0.52 0.26 -4.95 118.95 113.39 2jx3 s ARG 39 Ca 0.55 -1.81 -0.24 0.00 -0.52 0.00 0.00 55.73 53.71 2jx3 s ARG 39 Cb -0.28 0.17 -0.20 0.00 0.52 0.00 0.00 34.95 35.16 2jx3 s ARG 39 CO 0.67 -0.47 1.17 -1.00 0.02 0.00 0.00 175.30 175.69 2jx3 h PRO 40 N 2.38 0.17 0.00 3.54 0.13 -1.92 -3.28 132.00 133.02 2jx3 h PRO 40 Ca -0.32 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jx3 h PRO 40 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jx3 h PRO 40 CO 0.49 0.75 0.00 0.41 -0.23 0.00 0.00 178.00 179.42 2jx3 n GLY 41 N 0.60 3.64 3.17 1.56 0.00 -1.26 -4.86 105.19 108.03 2jx3 n GLY 41 Ca -0.08 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 2jx3 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jx3 s THR 42 N 0.00 1.06 0.30 2.61 2.01 -1.26 -4.82 115.64 115.55 2jx3 s THR 42 Ca 0.00 -1.34 0.01 0.00 0.31 0.00 0.00 61.69 60.67 2jx3 s THR 42 Cb 0.00 -1.08 0.41 0.00 0.01 0.00 0.00 72.50 71.84 2jx3 s THR 42 CO 0.00 -0.28 1.57 0.58 -0.69 0.00 0.00 174.62 175.80 2jx3 h VAL 43 N 4.20 0.03 -0.36 3.82 2.07 -2.01 2.53 116.25 126.53 2jx3 h VAL 43 Ca -0.40 -0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 2jx3 h VAL 43 Cb 1.19 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2jx3 h VAL 43 CO 0.42 0.00 -0.26 0.77 0.02 0.00 0.00 177.57 178.52 2jx3 h SER 44 N 0.01 0.75 0.00 0.57 4.64 -2.00 -2.91 113.55 114.62 2jx3 h SER 44 Ca 0.59 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2jx3 h SER 44 Cb 1.20 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2jx3 h SER 44 CO -0.92 0.98 -0.20 0.28 -0.87 0.00 0.00 176.83 176.10 2jx3 h SER 45 N 0.63 0.00 -0.72 4.97 0.02 0.39 -2.89 113.55 115.95 2jx3 h SER 45 Ca 0.08 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 2jx3 h SER 45 Cb 0.77 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.20 2jx3 h SER 45 CO 0.06 0.62 -0.31 0.18 -1.14 0.00 0.00 176.83 176.25 2jx3 n LEU 46 N -4.71 -0.52 0.09 5.07 4.77 0.77 0.19 117.00 122.66 2jx3 n LEU 46 Ca -0.03 1.26 -0.13 0.00 -0.03 0.00 0.00 56.01 57.08 2jx3 n LEU 46 Cb 0.12 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2jx3 n LEU 46 CO 0.05 -1.11 0.54 0.50 -1.33 0.00 0.00 177.39 176.04 2jx3 h LYS 47 N 0.00 -0.25 0.08 3.23 1.63 -1.66 -2.85 116.57 116.75 2jx3 h LYS 47 Ca 0.22 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 2jx3 h LYS 47 Cb 0.40 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2jx3 h LYS 47 CO -0.71 0.12 -0.04 0.87 -3.45 0.00 0.00 179.45 176.25 2jx3 h LYS 48 N -0.70 -0.11 -0.93 1.90 1.79 -0.57 -2.87 116.57 115.08 2jx3 h LYS 48 Ca -0.03 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 2jx3 h LYS 48 Cb 0.49 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 31.03 2jx3 h LYS 48 CO 0.04 -0.07 -0.43 0.09 -1.08 0.00 0.00 179.45 178.00 2jx3 n ASN 49 N -2.53 -0.74 -0.30 0.86 5.03 0.52 0.25 115.26 118.34 2jx3 n ASN 49 Ca -0.01 1.64 0.09 0.00 0.87 0.00 0.00 54.58 57.16 2jx3 n ASN 49 Cb 0.04 -0.32 0.25 0.00 -1.02 0.00 0.00 39.78 38.74 2jx3 n ASN 49 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2jx3 h VAL 50 N 0.00 0.68 -0.80 2.41 2.07 -1.50 -1.88 116.25 117.23 2jx3 h VAL 50 Ca 0.26 -0.20 -0.57 0.00 0.82 0.00 0.00 66.70 67.01 2jx3 h VAL 50 Cb 0.50 0.03 -0.41 0.00 -1.52 0.00 0.00 31.29 29.89 2jx3 h VAL 50 CO -0.91 0.11 -0.62 0.61 0.02 0.00 0.00 177.57 176.78 2jx3 n GLY 51 N -1.33 6.34 2.68 2.17 0.00 0.32 -4.79 105.19 110.58 2jx3 n GLY 51 Ca 0.18 -2.63 -0.05 0.00 0.00 0.00 0.00 46.02 43.52 2jx3 n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jx3 n GLN 52 N -0.73 0.22 0.00 1.61 0.00 0.70 0.27 117.38 119.45 2jx3 n GLN 52 Ca 0.46 -0.84 0.03 0.00 -0.00 0.00 0.00 57.00 56.64 2jx3 n GLN 52 Cb 0.93 -0.41 -0.02 0.00 0.00 0.00 0.00 30.24 30.74 2jx3 n GLN 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jx3 n PHE 53 N 1.53 0.00 -1.84 3.69 7.35 -1.23 -4.12 117.46 122.84 2jx3 n PHE 53 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 2jx3 n PHE 53 Cb 0.70 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.53 2jx3 n PHE 53 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2jx3 n SER 54 N -0.87 -7.39 0.00 -2.13 3.41 -1.26 -4.90 113.62 100.48 2jx3 n SER 54 Ca 0.01 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 2jx3 n SER 54 Cb 0.10 -4.07 0.00 0.00 -0.26 0.00 0.00 64.21 59.98 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 1.38 4.55 0.00 5.00 0.00 -1.26 -5.03 105.19 109.83 2jx3 n GLY 55 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.00 -0.59 1.61 3.01 -1.26 -2.11 117.46 118.12 2jx3 n PHE 56 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2jx3 n PHE 56 Cb 0.00 -0.33 -0.08 0.00 -0.01 0.00 0.00 39.48 39.06 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 -1.87 1.18 0.00 -1.08 -0.04 -1.26 -0.92 135.00 131.02 2jx3 n PRO 57 Ca 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2jx3 n PRO 57 Cb 0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.26 0.00 -4.17 0.54 -1.74 -0.90 -4.13 117.46 109.32 2jx3 n PHE 58 Ca 0.19 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.82 2jx3 n PHE 58 Cb 0.56 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.50 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 4.87 2.23 -0.03 3.97 8.01 -1.26 -4.84 118.70 131.65 2jx3 s GLU 59 Ca 0.00 -2.01 0.05 0.00 0.01 0.00 0.00 54.97 53.02 2jx3 s GLU 59 Cb 0.00 -1.94 0.07 0.00 -4.31 0.00 0.00 34.13 27.95 2jx3 s GLU 59 CO 0.00 -0.33 0.94 0.36 0.01 0.00 0.00 175.26 176.24 2jx3 n LYS 60 N -1.42 0.61 -2.91 1.61 2.85 -1.26 -4.76 118.16 112.87 2jx3 n LYS 60 Ca -0.05 -1.34 -0.31 0.00 -1.05 0.00 0.00 58.31 55.56 2jx3 n LYS 60 Cb 0.65 -0.79 -0.03 0.00 -0.65 0.00 0.00 35.03 34.21 2jx3 n LYS 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jx3 n GLY 61 N -0.40 5.66 3.78 2.58 0.00 -1.26 -4.73 105.19 110.83 2jx3 n GLY 61 Ca 0.04 -2.74 -0.06 0.00 0.00 0.00 0.00 46.02 43.26 2jx3 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jx3 s SER 62 N -2.84 -0.26 0.26 1.61 0.01 -1.26 -5.00 113.70 106.23 2jx3 s SER 62 Ca 0.45 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.22 2jx3 s SER 62 Cb 0.24 0.63 0.56 0.00 0.21 0.00 0.00 66.02 67.66 2jx3 s SER 62 CO -0.12 -1.15 1.67 0.58 0.41 0.00 0.00 173.24 174.64 2jx3 h VAL 63 N 2.00 0.45 -0.65 3.43 2.07 -2.01 0.76 116.25 122.30 2jx3 h VAL 63 Ca -0.22 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.31 2jx3 h VAL 63 Cb 1.25 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 2jx3 h VAL 63 CO 0.25 0.05 0.25 0.06 0.02 0.00 0.00 177.57 178.20 2jx3 h GLN 64 N 0.26 0.42 -0.00 1.57 3.07 -1.98 -1.54 115.11 116.91 2jx3 h GLN 64 Ca 0.47 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 59.19 2jx3 h GLN 64 Cb 0.85 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 2jx3 h GLN 64 CO -0.56 0.28 -0.08 -0.92 0.09 0.00 0.00 178.83 177.64 2jx3 h TYR 65 N 0.44 -0.23 -0.81 0.06 3.20 -1.13 0.31 116.97 118.81 2jx3 h TYR 65 Ca 0.33 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.40 2jx3 h TYR 65 Cb 0.42 0.10 -0.14 0.00 1.54 0.00 0.00 36.73 38.65 2jx3 h TYR 65 CO -0.16 -0.08 0.07 0.87 -1.64 0.00 0.00 178.16 177.22 2jx3 h LYS 66 N -0.10 0.13 -0.42 1.82 1.57 -1.48 0.76 116.57 118.85 2jx3 h LYS 66 Ca 0.00 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2jx3 h LYS 66 Cb 0.11 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 2jx3 h LYS 66 CO -0.05 0.08 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.13 2jx3 h LYS 67 N 0.13 -0.37 -0.74 3.15 1.63 -0.16 -1.13 116.57 119.08 2jx3 h LYS 67 Ca 0.46 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.37 2jx3 h LYS 67 Cb 0.86 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 32.47 2jx3 h LYS 67 CO -0.68 -0.25 -0.55 0.87 -3.45 0.00 0.00 179.45 175.39 2jx3 h LYS 68 N -0.38 -0.16 -0.84 1.90 6.56 0.12 0.20 116.57 123.96 2jx3 h LYS 68 Ca 0.07 0.01 0.27 0.00 -1.06 0.00 0.00 60.65 59.95 2jx3 h LYS 68 Cb 0.58 0.04 -0.15 0.00 -0.57 0.00 0.00 32.23 32.13 2jx3 h LYS 68 CO -0.60 -0.11 0.17 -1.91 -2.06 0.00 0.00 179.45 174.94 2jx3 n GLU 69 N -5.32 -0.06 0.04 3.15 0.00 -0.44 0.12 120.64 118.13 2jx3 n GLU 69 Ca 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 57.16 58.37 2jx3 n GLU 69 Cb 0.31 -2.02 -0.01 0.00 0.00 0.00 0.00 31.44 29.71 2jx3 n GLU 69 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2jx3 h GLU 70 N 0.00 -0.13 -0.92 5.31 4.22 -0.46 -2.22 114.58 120.37 2jx3 h GLU 70 Ca 0.58 0.01 0.15 0.00 0.08 0.00 0.00 59.36 60.17 2jx3 h GLU 70 Cb 1.33 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 2jx3 h GLU 70 CO -0.74 -0.09 0.53 0.52 -2.18 0.00 0.00 179.01 177.05 2jx3 h MET 71 N -0.41 0.74 0.00 1.92 2.86 -0.87 0.61 114.93 119.78 2jx3 h MET 71 Ca -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2jx3 h MET 71 Cb 0.11 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2jx3 h MET 71 CO 0.02 0.49 -0.08 -0.07 1.06 0.00 0.00 176.91 178.33 2jx3 h LEU 72 N 0.76 0.00 0.38 1.22 -0.00 0.82 -2.75 115.31 115.74 2jx3 h LEU 72 Ca 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.35 2jx3 h LEU 72 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 2jx3 h LEU 72 CO -0.33 0.08 -0.18 0.50 -0.00 0.00 0.00 178.44 178.50 2jx3 h LYS 73 N 0.00 -0.49 0.24 1.13 3.11 0.89 2.26 116.57 123.71 2jx3 h LYS 73 Ca -0.00 0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2jx3 h LYS 73 Cb 0.38 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 2jx3 h LYS 73 CO 0.01 -0.19 -0.19 -0.22 -2.81 0.00 0.00 179.45 176.06 2jx3 h LYS 74 N -0.81 -0.42 0.00 1.90 3.64 -1.42 -1.82 116.57 117.63 2jx3 h LYS 74 Ca -0.05 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2jx3 h LYS 74 Cb 0.53 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2jx3 h LYS 74 CO 0.09 -0.28 -0.28 0.74 -2.27 0.00 0.00 179.45 177.45 2jx3 h PHE 75 N -0.43 0.00 -0.51 1.91 -1.00 -1.51 -2.89 116.94 112.50 2jx3 h PHE 75 Ca -0.01 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.87 2jx3 h PHE 75 Cb 0.38 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.84 2jx3 h PHE 75 CO -0.12 0.28 -0.28 -0.09 -1.61 0.00 0.00 178.31 176.49 2jx3 h ARG 76 N 0.00 -0.15 0.77 1.51 1.12 0.47 2.21 114.38 120.32 2jx3 h ARG 76 Ca -0.00 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 2jx3 h ARG 76 Cb 0.53 0.03 0.01 0.00 -0.01 0.00 0.00 29.97 30.53 2jx3 h ARG 76 CO 0.04 -0.10 -0.37 -0.91 -3.11 0.00 0.00 179.97 175.52 2jx3 h ASN 77 N -0.15 -0.88 0.00 -3.80 -0.26 -1.40 -2.80 115.58 106.28 2jx3 h ASN 77 Ca 0.23 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 2jx3 h ASN 77 Cb 0.52 0.23 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 2jx3 h ASN 77 CO -0.61 -0.52 0.00 0.00 -1.06 0.00 0.00 177.43 175.25 2jx3 n ALA 78 N -2.68 -0.19 -0.36 -0.83 0.00 -0.77 -2.93 120.51 112.75 2jx3 n ALA 78 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 2jx3 n ALA 78 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2jx3 n ALA 78 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jx3 n MET 79 N -1.74 -0.33 -0.21 0.00 0.00 0.74 0.46 117.12 116.04 2jx3 n MET 79 Ca 0.00 1.33 0.02 0.00 -0.00 0.00 0.00 57.70 59.05 2jx3 n MET 79 Cb 0.00 -1.97 0.12 0.00 0.00 0.00 0.00 33.22 31.37 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 -0.17 -0.68 -0.89 3.38 -1.08 1.10 115.31 116.97 2jx3 h LEU 80 Ca 0.19 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.39 2jx3 h LEU 80 Cb 0.41 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 2jx3 h LEU 80 CO -0.84 -0.08 -0.50 0.50 0.09 0.00 0.00 178.44 177.62 2jx3 h LYS 81 N 0.17 -0.19 0.16 1.13 1.63 0.13 0.70 116.57 120.30 2jx3 h LYS 81 Ca 0.34 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 2jx3 h LYS 81 Cb 0.54 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2jx3 h LYS 81 CO -0.50 -0.12 -0.08 0.66 -3.45 0.00 0.00 179.45 175.96 2jx3 h SER 82 N -0.19 -0.18 -0.41 4.20 4.64 -0.96 -2.97 113.55 117.67 2jx3 h SER 82 Ca 0.17 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.53 2jx3 h SER 82 Cb 0.54 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 2jx3 h SER 82 CO -0.75 0.16 -0.30 0.40 -0.87 0.00 0.00 176.83 175.46 2jx3 h ILE 83 N -0.81 0.00 -0.86 0.95 5.03 0.13 0.35 117.51 122.30 2jx3 h ILE 83 Ca -0.02 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.94 2jx3 h ILE 83 Cb 0.17 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.81 2jx3 h ILE 83 CO 0.04 0.00 0.07 0.00 -0.68 0.00 0.00 178.15 177.58 2jx3 h GLU 85 N 0.10 0.11 -1.42 0.00 4.81 -0.14 -2.82 114.58 115.22 2jx3 h GLU 85 Ca 0.50 -0.01 -0.42 0.00 -0.13 0.00 0.00 59.36 59.31 2jx3 h GLU 85 Cb 0.97 -0.02 -0.33 0.00 0.63 0.00 0.00 28.75 30.01 2jx3 h GLU 85 CO -0.74 0.07 -0.97 0.28 -0.73 0.00 0.00 179.01 176.92 2jx3 n VAL 86 N -4.36 -0.19 -2.71 0.32 0.31 0.54 -4.91 118.33 107.33 2jx3 n VAL 86 Ca 0.32 -3.62 -0.01 0.00 -0.01 0.00 0.00 64.34 61.01 2jx3 n VAL 86 Cb 1.34 0.02 0.08 0.00 -0.91 0.00 0.00 33.84 34.38 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 0.52 -0.04 -1.15 7.52 7.94 0.34 -4.23 117.00 127.91 2jx3 n LEU 87 Ca 0.19 -3.04 -0.15 0.00 -1.11 0.00 0.00 56.01 51.91 2jx3 n LEU 87 Cb 0.65 0.25 -0.06 0.00 0.53 0.00 0.00 43.42 44.79 2jx3 n LEU 87 CO 0.16 1.37 -0.14 -0.67 -1.11 0.00 0.00 177.39 176.99 2jx3 n ASP 88 N -1.00 -4.94 -4.54 1.96 2.03 -1.26 -4.86 116.55 103.94 2jx3 n ASP 88 Ca -0.07 0.37 -0.29 0.00 0.52 0.00 0.00 54.79 55.33 2jx3 n ASP 88 Cb 0.85 -3.76 -0.09 0.00 -0.72 0.00 0.00 41.12 37.40 2jx3 n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jx3 s LEU 89 N -3.41 2.34 -0.35 -2.67 2.01 -1.24 -5.08 118.68 110.28 2jx3 s LEU 89 Ca 0.00 -1.55 0.14 0.00 0.01 0.00 0.00 54.13 52.72 2jx3 s LEU 89 Cb 0.00 -0.58 0.43 0.00 0.01 0.00 0.00 46.19 46.05 2jx3 s LEU 89 CO 0.00 -0.74 1.25 1.21 1.01 0.00 0.00 176.35 179.07 2jx3 n GLU 90 N -1.03 1.27 -1.13 1.70 2.13 -1.26 -4.58 120.64 117.73 2jx3 n GLU 90 Ca -0.11 -2.31 0.14 0.00 0.66 0.00 0.00 57.16 55.54 2jx3 n GLU 90 Cb 0.66 -0.48 -0.08 0.00 0.27 0.00 0.00 31.44 31.82 2jx3 n GLU 90 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jx3 n ARG 91 N -0.61 -2.62 0.00 5.31 0.63 -1.26 -5.04 116.66 113.07 2jx3 n ARG 91 Ca -0.01 2.15 0.00 0.00 -0.92 0.00 0.00 57.85 59.07 2jx3 n ARG 91 Cb 0.84 -3.06 0.00 0.00 0.45 0.00 0.00 32.46 30.69 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 -3.84 0.00 0.00 6.15 3.41 -1.26 -5.10 113.62 112.99 2jx3 n SER 92 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2jx3 n SER 92 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2jx3 n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jx3 n GLY 93 N 3.26 1.78 3.43 5.00 0.00 -1.26 -5.10 105.19 112.30 2jx3 n GLY 93 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2jx3 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jx3 s VAL 94 N 0.00 4.53 0.31 1.61 1.01 -1.26 -4.96 120.40 121.64 2jx3 s VAL 94 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.66 2jx3 s VAL 94 Cb 0.00 -3.29 0.32 0.00 0.00 0.00 0.00 36.38 33.41 2jx3 s VAL 94 CO 0.00 0.10 1.66 0.78 0.00 0.00 0.00 175.10 177.65 2jx3 h ASN 95 N 8.33 0.30 -0.99 3.32 4.21 -2.00 0.59 115.58 129.34 2jx3 h ASN 95 Ca -0.33 0.19 0.11 0.00 1.21 0.00 0.00 56.30 57.48 2jx3 h ASN 95 Cb 1.15 0.18 -0.08 0.00 -1.12 0.00 0.00 38.32 38.45 2jx3 h ASN 95 CO 0.61 -0.11 0.63 -1.28 -1.29 0.00 0.00 177.43 175.98 2jx3 h SER 96 N 0.31 0.92 0.80 5.81 0.87 -2.01 0.14 113.55 120.38 2jx3 h SER 96 Ca 0.64 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 61.20 2jx3 h SER 96 Cb 1.35 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2jx3 h SER 96 CO -0.61 0.51 -0.16 -0.33 -0.53 0.00 0.00 176.83 175.71 2jx3 h GLU 97 N 1.00 0.00 0.46 2.24 4.39 -0.22 -2.88 114.58 119.57 2jx3 h GLU 97 Ca 0.47 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 2jx3 h GLU 97 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2jx3 h GLU 97 CO -0.24 0.16 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.48 2jx3 h LEU 98 N 0.00 -0.53 0.09 1.33 3.38 -0.35 -2.16 115.31 117.07 2jx3 h LEU 98 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jx3 h LEU 98 Cb 0.61 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2jx3 h LEU 98 CO 0.02 -0.20 -0.43 0.58 0.09 0.00 0.00 178.44 178.50 2jx3 h VAL 99 N -0.99 0.00 -1.29 1.22 2.07 -1.54 0.48 116.25 116.19 2jx3 h VAL 99 Ca -0.06 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.83 2jx3 h VAL 99 Cb 0.48 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2jx3 h VAL 99 CO 0.10 0.00 1.10 0.50 0.02 0.00 0.00 177.57 179.29 2jx3 h LYS 100 N -0.61 0.00 -0.63 1.57 3.64 -1.61 1.09 116.57 120.01 2jx3 h LYS 100 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2jx3 h LYS 100 Cb 0.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 2jx3 h LYS 100 CO -0.24 0.00 0.20 -0.09 -2.27 0.00 0.00 179.45 177.05 2jx3 h ARG 101 N 0.00 0.98 -0.11 1.90 9.65 0.66 -0.85 114.38 126.61 2jx3 h ARG 101 Ca 0.61 -0.21 -0.07 0.00 -1.10 0.00 0.00 59.98 59.22 2jx3 h ARG 101 Cb 2.80 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 31.23 2jx3 h ARG 101 CO -0.01 0.86 -0.24 -0.84 2.80 0.00 0.00 179.97 182.54 2jx3 h ILE 102 N 0.90 1.22 0.00 1.20 -0.00 0.15 0.78 117.51 121.76 2jx3 h ILE 102 Ca 0.20 -1.04 -0.08 0.00 -0.00 0.00 0.00 64.86 63.94 2jx3 h ILE 102 Cb 0.29 1.41 -0.01 0.00 -0.00 0.00 0.00 36.82 38.51 2jx3 h ILE 102 CO -0.01 0.31 -0.38 -0.07 -0.00 0.00 0.00 178.15 178.01 2jx3 h LEU 103 N 0.17 0.00 0.00 0.16 3.38 -1.23 0.72 115.31 118.52 2jx3 h LEU 103 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jx3 h LEU 103 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2jx3 h LEU 103 CO 0.04 0.38 -1.65 0.59 0.09 0.00 0.00 178.44 177.88 2jx3 n ASN 104 N -3.33 0.29 0.03 -0.43 3.02 -0.38 -4.10 115.26 110.37 2jx3 n ASN 104 Ca 0.01 -0.12 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 2jx3 n ASN 104 Cb 0.60 1.56 -0.00 0.00 -0.61 0.00 0.00 39.78 41.33 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 -2.17 0.00 0.26 3.10 -0.00 0.27 -4.36 117.46 114.55 2jx3 n PHE 105 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.52 2jx3 n PHE 105 Cb 0.52 -0.04 0.68 0.00 -0.00 0.00 0.00 39.48 40.64 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 -0.08 0.00 -0.43 -2.13 -0.00 -1.07 0.15 115.31 111.75 2jx3 h LEU 106 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2jx3 h LEU 106 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2jx3 h LEU 106 CO 0.00 0.04 -0.26 -0.03 -0.00 0.00 0.00 178.44 178.20 2jx3 h MET 107 N 0.00 0.00 0.00 1.13 4.05 0.21 -3.35 114.93 116.97 2jx3 h MET 107 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2jx3 h MET 107 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2jx3 h MET 107 CO 0.01 0.26 0.00 -2.39 0.23 0.00 0.00 176.91 175.01 2jx3 n HIS 108 N -3.23 0.00 0.00 1.39 1.44 0.07 -3.34 115.22 111.55 2jx3 n HIS 108 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2jx3 n HIS 108 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 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 -0.67 -1.40 -0.04 0.30 -4.37 135.00 128.82 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 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 2jx3 n PRO 109 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63