#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 0.32 1.97 -1.04 -1.26 -4.96 114.28 109.30 2jx3 n THR 2 Ca 0.00 -1.30 0.12 0.00 -2.04 0.00 0.00 64.05 60.83 2jx3 n THR 2 Cb 0.00 1.05 0.22 0.00 -1.82 0.00 0.00 70.33 69.78 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 1.83 0.00 -3.38 12.58 2.04 -1.98 -3.43 117.51 125.17 2jx3 h ILE 3 Ca -0.29 -0.87 -0.41 0.00 1.00 0.00 0.00 64.86 64.29 2jx3 h ILE 3 Cb 1.24 1.84 -0.36 0.00 -0.74 0.00 0.00 36.82 38.80 2jx3 h ILE 3 CO -0.04 0.00 -0.77 0.00 0.00 0.00 0.00 178.15 177.34 2jx3 s ALA 4 N -3.19 0.63 0.00 1.87 0.00 -1.26 -4.94 121.76 114.87 2jx3 s ALA 4 Ca 0.07 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.05 2jx3 s ALA 4 Cb 0.07 -0.55 0.11 0.00 0.00 0.00 0.00 23.12 22.75 2jx3 s ALA 4 CO 0.66 -0.22 0.97 0.00 0.00 0.00 0.00 175.76 177.18 2jx3 n GLN 5 N 4.54 0.00 0.00 0.00 10.64 -1.26 -4.95 117.38 126.34 2jx3 n GLN 5 Ca -0.17 -1.11 0.00 0.00 -1.83 0.00 0.00 57.00 53.89 2jx3 n GLN 5 Cb 0.50 0.24 0.00 0.00 -0.86 0.00 0.00 30.24 30.13 2jx3 n GLN 5 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jx3 n GLY 6 N 0.12 0.13 3.70 2.61 0.00 -1.26 -5.10 105.19 105.40 2jx3 n GLY 6 Ca -0.14 -0.13 -0.62 0.00 0.00 0.00 0.00 46.02 45.13 2jx3 n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jx3 n LYS 7 N -1.65 0.52 -0.32 1.61 3.00 -1.26 -4.78 118.16 115.28 2jx3 n LYS 7 Ca 0.00 0.19 -0.03 0.00 -0.00 0.00 0.00 58.31 58.47 2jx3 n LYS 7 Cb 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 35.03 33.28 2jx3 n LYS 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2jx3 h GLY 8 N 5.63 -0.06 -6.07 3.14 0.00 -1.99 -3.29 103.07 100.43 2jx3 h GLY 8 Ca -0.46 0.51 -0.50 0.00 0.00 0.00 0.00 47.33 46.88 2jx3 h GLY 8 CO 0.93 -0.19 -0.89 0.61 0.00 0.00 0.00 176.54 177.00 2jx3 n GLN 9 N -5.45 0.28 -0.22 4.80 10.64 -1.26 -4.98 117.38 121.19 2jx3 n GLN 9 Ca 0.08 -2.94 -0.22 0.00 -1.83 0.00 0.00 57.00 52.08 2jx3 n GLN 9 Cb 0.38 -1.61 0.21 0.00 -0.86 0.00 0.00 30.24 28.37 2jx3 n GLN 9 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2jx3 n LYS 10 N 2.77 -3.99 0.31 2.61 4.81 -1.24 -4.11 118.16 119.31 2jx3 n LYS 10 Ca 0.27 -1.09 0.16 0.00 -0.87 0.00 0.00 58.31 56.77 2jx3 n LYS 10 Cb 0.50 -1.37 0.83 0.00 0.02 0.00 0.00 35.03 35.00 2jx3 n LYS 10 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2jx3 h LEU 11 N 0.00 0.00 0.00 3.14 -0.00 -1.78 0.13 115.31 116.80 2jx3 h LEU 11 Ca -0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.44 2jx3 h LEU 11 Cb 0.97 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 2jx3 h LEU 11 CO 0.18 0.00 -1.27 0.00 -0.00 0.00 0.00 178.44 177.35 2jx3 h GLU 13 N 0.00 -0.03 -5.08 0.00 4.39 -0.99 -3.43 114.58 109.44 2jx3 h GLU 13 Ca -0.13 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.09 2jx3 h GLU 13 Cb 1.52 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 30.10 2jx3 h GLU 13 CO 0.05 -0.02 1.74 0.44 -1.16 0.00 0.00 179.01 180.06 2jx3 n ILE 14 N -3.44 -0.01 -0.36 3.13 -5.35 -1.07 -4.73 119.36 107.52 2jx3 n ILE 14 Ca -0.00 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2jx3 n ILE 14 Cb 0.01 -0.77 0.14 0.00 -1.74 0.00 0.00 39.64 37.28 2jx3 n ILE 14 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2jx3 h GLU 15 N 12.90 1.19 0.95 6.28 4.81 -1.89 0.93 114.58 139.75 2jx3 h GLU 15 Ca -0.07 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2jx3 h GLU 15 Cb 1.28 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 30.41 2jx3 h GLU 15 CO 1.38 0.79 -0.46 -0.09 -0.73 0.00 0.00 179.01 179.90 2jx3 h ARG 16 N 1.22 -1.23 -0.31 1.92 9.65 -1.85 0.40 114.38 124.19 2jx3 h ARG 16 Ca 0.40 0.08 -0.06 0.00 -1.10 0.00 0.00 59.98 59.29 2jx3 h ARG 16 Cb 0.03 0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2jx3 h ARG 16 CO -0.13 -0.82 -0.06 0.82 2.80 0.00 0.00 179.97 182.58 2jx3 h ILE 17 N -1.33 1.28 -0.67 1.20 5.03 -1.82 -2.88 117.51 118.31 2jx3 h ILE 17 Ca -0.13 -1.09 0.01 0.00 -0.12 0.00 0.00 64.86 63.53 2jx3 h ILE 17 Cb 0.98 1.36 -0.03 0.00 -3.03 0.00 0.00 36.82 36.10 2jx3 h ILE 17 CO 0.21 0.35 0.44 -0.74 -0.68 0.00 0.00 178.15 177.74 2jx3 h HIS 18 N 0.35 0.84 0.00 1.37 2.76 0.89 -2.83 115.15 118.53 2jx3 h HIS 18 Ca 0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2jx3 h HIS 18 Cb 0.54 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2jx3 h HIS 18 CO 0.05 0.53 0.00 0.34 -1.30 0.00 0.00 177.93 177.55 2jx3 n PHE 19 N -4.43 0.00 -0.29 5.26 7.35 0.14 -1.68 117.46 123.80 2jx3 n PHE 19 Ca 0.07 0.00 0.33 0.00 -0.76 0.00 0.00 57.45 57.09 2jx3 n PHE 19 Cb 0.04 -0.42 0.56 0.00 0.35 0.00 0.00 39.48 40.02 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 -1.53 1.74 116.94 115.05 2jx3 h PHE 20 Ca 0.00 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.75 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 0.17 0.00 -0.95 -0.07 -2.02 0.00 0.00 178.31 175.44 2jx3 h LEU 21 N 0.00 0.00 -1.66 0.59 -0.00 -1.23 -3.22 115.31 109.79 2jx3 h LEU 21 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.44 2jx3 h LEU 21 Cb 2.91 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 43.57 2jx3 h LEU 21 CO -0.01 0.91 0.23 0.77 -0.00 0.00 0.00 178.44 180.35 2jx3 h SER 22 N 0.00 0.00 -1.19 -0.43 4.64 0.36 -1.81 113.55 115.12 2jx3 h SER 22 Ca -0.02 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.70 2jx3 h SER 22 Cb 1.71 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.57 2jx3 h SER 22 CO 0.12 0.00 0.74 0.29 -0.87 0.00 0.00 176.83 177.11 2jx3 n LYS 23 N -2.54 2.47 -1.54 4.77 5.02 -1.22 -5.00 118.16 120.14 2jx3 n LYS 23 Ca -0.02 -2.82 -0.35 0.00 -2.02 0.00 0.00 58.31 53.10 2jx3 n LYS 23 Cb 0.27 -2.12 0.09 0.00 -0.02 0.00 0.00 35.03 33.24 2jx3 n LYS 23 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jx3 s LYS 24 N -3.07 2.26 0.17 1.97 3.01 -0.68 -5.01 119.74 118.38 2jx3 s LYS 24 Ca 0.53 1.91 0.09 0.00 -1.01 0.00 0.00 55.97 57.50 2jx3 s LYS 24 Cb 0.41 -1.83 -0.04 0.00 -1.01 0.00 0.00 37.83 35.36 2jx3 s LYS 24 CO -0.17 -1.78 -0.20 0.21 0.51 0.00 0.00 175.35 173.92 2jx3 s LYS 25 N -3.68 1.32 0.12 1.68 2.20 -1.26 -4.97 119.74 115.16 2jx3 s LYS 25 Ca 0.78 -1.41 -0.33 0.00 -0.36 0.00 0.00 55.97 54.65 2jx3 s LYS 25 Cb -0.33 -1.47 -0.11 0.00 -1.51 0.00 0.00 37.83 34.41 2jx3 s LYS 25 CO 0.43 0.31 1.56 1.15 -0.36 0.00 0.00 175.35 178.44 2jx3 h THR 26 N 3.32 0.02 -0.09 3.43 2.02 -1.98 0.71 112.91 120.35 2jx3 h THR 26 Ca -0.44 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.77 2jx3 h THR 26 Cb 1.20 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2jx3 h THR 26 CO 0.49 0.00 -0.12 -0.78 0.37 0.00 0.00 175.52 175.48 2jx3 h ASP 27 N -0.55 -0.35 -0.09 4.18 1.82 -2.00 -0.69 116.42 118.74 2jx3 h ASP 27 Ca 0.05 0.07 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 2jx3 h ASP 27 Cb 0.67 0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.79 2jx3 h ASP 27 CO -0.45 -0.16 -0.25 -0.08 -1.61 0.00 0.00 179.24 176.69 2jx3 h GLU 28 N -0.16 -0.33 -0.76 0.28 4.57 -1.75 0.81 114.58 117.25 2jx3 h GLU 28 Ca 0.07 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.45 2jx3 h GLU 28 Cb 0.26 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 2jx3 h GLU 28 CO -0.18 -0.22 0.51 1.25 -1.18 0.00 0.00 179.01 179.20 2jx3 h LEU 29 N -0.34 0.28 0.18 1.64 7.12 0.83 0.32 115.31 125.34 2jx3 h LEU 29 Ca 0.09 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.12 2jx3 h LEU 29 Cb 0.47 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2jx3 h LEU 29 CO -0.29 0.14 -0.17 -0.09 -0.13 0.00 0.00 178.44 177.90 2jx3 h ARG 30 N 0.30 -0.37 0.20 1.25 2.43 0.71 -0.47 114.38 118.43 2jx3 h ARG 30 Ca 0.37 0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 59.27 2jx3 h ARG 30 Cb 1.03 0.08 0.03 0.00 -0.42 0.00 0.00 29.97 30.69 2jx3 h ARG 30 CO -0.10 -0.25 -1.31 -2.95 -1.51 0.00 0.00 179.97 173.86 2jx3 h ASN 31 N -0.38 0.80 0.42 -3.80 7.08 -1.14 -2.28 115.58 116.28 2jx3 h ASN 31 Ca 0.00 -0.90 -0.02 0.00 -3.08 0.00 0.00 56.30 52.31 2jx3 h ASN 31 Cb 0.36 -0.26 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 2jx3 h ASN 31 CO -0.04 1.64 -0.20 -0.07 -2.08 0.00 0.00 177.43 176.67 2jx3 h LEU 32 N 0.10 -0.48 -0.57 6.14 3.38 -0.96 -2.74 115.31 120.19 2jx3 h LEU 32 Ca -0.22 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2jx3 h LEU 32 Cb 2.01 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 2jx3 h LEU 32 CO 0.25 -0.28 -0.24 0.45 0.09 0.00 0.00 178.44 178.71 2jx3 h HIS 33 N -0.65 0.00 -0.20 1.13 3.86 -1.23 0.82 115.15 118.88 2jx3 h HIS 33 Ca -0.06 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 2jx3 h HIS 33 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2jx3 h HIS 33 CO -0.03 0.24 -0.35 -0.22 0.86 0.00 0.00 177.93 178.44 2jx3 h LYS 34 N 0.00 0.43 0.00 2.45 3.11 -1.29 0.46 116.57 121.72 2jx3 h LYS 34 Ca -0.00 -0.19 -0.26 0.00 -2.81 0.00 0.00 60.65 57.39 2jx3 h LYS 34 Cb 0.98 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.16 2jx3 h LYS 34 CO 0.03 0.72 -1.89 -0.11 -2.81 0.00 0.00 179.45 175.40 2jx3 n LEU 35 N -4.06 1.48 0.21 5.20 7.94 -1.04 -3.18 117.00 123.55 2jx3 n LEU 35 Ca -0.01 0.14 -0.15 0.00 -1.11 0.00 0.00 56.01 54.88 2jx3 n LEU 35 Cb 0.46 -0.48 -0.07 0.00 0.53 0.00 0.00 43.42 43.86 2jx3 n LEU 35 CO 0.43 0.41 0.66 0.25 -1.11 0.00 0.00 177.39 178.03 2jx3 h LEU 36 N -0.46 -0.82 -1.32 -1.96 5.85 -1.00 -3.19 115.31 112.41 2jx3 h LEU 36 Ca -0.39 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2jx3 h LEU 36 Cb 1.39 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.69 2jx3 h LEU 36 CO -0.21 -0.45 -0.17 -1.22 -0.34 0.00 0.00 178.44 176.05 2jx3 n TYR 37 N -5.43 0.00 -3.20 1.25 4.01 -1.11 -4.96 117.16 107.72 2jx3 n TYR 37 Ca -0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.43 2jx3 n TYR 37 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2jx3 n TYR 37 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jx3 n ASN 38 N 0.48 -4.05 -3.75 7.72 5.15 0.13 -4.92 115.26 116.01 2jx3 n ASN 38 Ca 0.09 -0.30 -0.13 0.00 -0.60 0.00 0.00 54.58 53.64 2jx3 n ASN 38 Cb 0.41 -3.35 -0.10 0.00 -0.53 0.00 0.00 39.78 36.21 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 -5.85 0.52 -1.16 1.20 3.52 0.76 -4.94 118.95 113.00 2jx3 s ARG 39 Ca 0.34 0.24 -0.23 0.00 -0.13 0.00 0.00 55.73 55.96 2jx3 s ARG 39 Cb -0.17 0.24 -0.10 0.00 -1.56 0.00 0.00 34.95 33.36 2jx3 s ARG 39 CO 0.42 -0.10 1.93 -0.35 -0.81 0.00 0.00 175.30 176.39 2jx3 n PRO 40 N 2.28 1.58 -1.47 5.12 -0.04 -1.26 -4.01 135.00 137.20 2jx3 n PRO 40 Ca -0.16 -2.43 -0.48 0.00 -0.04 0.00 0.00 63.50 60.39 2jx3 n PRO 40 Cb 0.57 -3.69 -0.03 0.00 -0.04 0.00 0.00 33.50 30.31 2jx3 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jx3 n GLY 41 N 5.71 -1.09 0.00 0.55 0.00 -1.26 -4.96 105.19 104.14 2jx3 n GLY 41 Ca 0.45 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2jx3 n GLY 41 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jx3 n THR 42 N 0.35 0.00 -0.03 2.61 5.66 -1.26 -4.69 114.28 116.92 2jx3 n THR 42 Ca 0.16 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.10 2jx3 n THR 42 Cb 0.25 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.01 2jx3 n THR 42 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2jx3 n VAL 43 N 0.00 1.24 0.38 1.08 0.31 -1.26 -4.09 118.33 115.98 2jx3 n VAL 43 Ca 0.00 0.19 0.14 0.00 -0.01 0.00 0.00 64.34 64.66 2jx3 n VAL 43 Cb 0.00 -1.90 0.49 0.00 -0.91 0.00 0.00 33.84 31.53 2jx3 n VAL 43 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2jx3 h SER 44 N -0.48 0.00 0.00 4.52 0.87 -1.99 -2.91 113.55 113.56 2jx3 h SER 44 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2jx3 h SER 44 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2jx3 h SER 44 CO -0.04 0.00 -0.30 -1.28 -0.53 0.00 0.00 176.83 174.68 2jx3 h SER 45 N 0.00 0.00 -1.18 6.23 0.87 -1.95 -2.92 113.55 114.61 2jx3 h SER 45 Ca 0.00 0.00 0.37 0.00 -1.23 0.00 0.00 61.79 60.93 2jx3 h SER 45 Cb 0.57 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.40 2jx3 h SER 45 CO 0.00 0.50 0.75 0.17 -0.53 0.00 0.00 176.83 177.71 2jx3 h LEU 46 N -0.69 0.35 0.29 2.23 8.10 -1.71 1.21 115.31 125.08 2jx3 h LEU 46 Ca 0.00 0.13 -0.01 0.00 0.11 0.00 0.00 57.88 58.11 2jx3 h LEU 46 Cb 0.30 0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 2jx3 h LEU 46 CO 0.00 -0.10 -0.14 0.50 -4.11 0.00 0.00 178.44 174.59 2jx3 h LYS 47 N 0.21 -0.38 0.39 0.17 1.63 -1.66 -2.89 116.57 114.05 2jx3 h LYS 47 Ca 0.74 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.55 2jx3 h LYS 47 Cb 2.11 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.83 2jx3 h LYS 47 CO -0.42 -0.25 -0.19 0.87 -3.45 0.00 0.00 179.45 176.01 2jx3 h LYS 48 N -0.83 -0.51 -0.17 1.90 1.57 -1.09 -2.81 116.57 114.64 2jx3 h LYS 48 Ca -0.04 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2jx3 h LYS 48 Cb 0.30 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2jx3 h LYS 48 CO 0.07 -0.22 -0.14 -0.91 -0.57 0.00 0.00 179.45 177.67 2jx3 h ASN 49 N -0.75 -0.50 -0.73 0.86 4.21 0.13 1.56 115.58 120.35 2jx3 h ASN 49 Ca -0.05 0.07 0.07 0.00 1.21 0.00 0.00 56.30 57.60 2jx3 h ASN 49 Cb 0.52 0.21 -0.10 0.00 -1.12 0.00 0.00 38.32 37.83 2jx3 h ASN 49 CO 0.09 -0.08 -0.56 0.58 -1.29 0.00 0.00 177.43 176.16 2jx3 h VAL 50 N -0.05 0.00 0.00 2.81 2.07 -1.58 1.61 116.25 121.12 2jx3 h VAL 50 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2jx3 h VAL 50 Cb 0.13 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2jx3 h VAL 50 CO -0.19 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.62 2jx3 h GLY 51 N -0.18 0.00 -6.09 2.17 0.00 -1.03 -3.22 103.07 94.72 2jx3 h GLY 51 Ca 0.13 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.88 2jx3 h GLY 51 CO -0.79 0.00 -0.93 -1.06 0.00 0.00 0.00 176.54 173.76 2jx3 n GLN 52 N -3.38 1.30 0.00 4.80 1.13 0.52 0.19 117.38 121.94 2jx3 n GLN 52 Ca -0.03 -3.71 0.00 0.00 -1.94 0.00 0.00 57.00 51.32 2jx3 n GLN 52 Cb 0.11 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 28.88 2jx3 n GLN 52 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jx3 n PHE 53 N 1.29 0.00 0.00 1.08 7.35 0.86 -4.47 117.46 123.56 2jx3 n PHE 53 Ca 0.24 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 2jx3 n PHE 53 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 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 -0.41 0.80 0.00 -2.13 3.41 -1.26 -5.02 113.62 109.01 2jx3 n SER 54 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jx3 n SER 54 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 2.05 -0.86 0.35 5.00 0.00 -1.26 -5.04 105.19 105.43 2jx3 n GLY 55 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 0.15 -0.57 1.61 3.01 -1.26 -1.41 117.46 118.98 2jx3 n PHE 56 Ca 0.00 1.16 -0.14 0.00 1.01 0.00 0.00 57.45 59.48 2jx3 n PHE 56 Cb 0.00 -0.93 -0.04 0.00 -0.01 0.00 0.00 39.48 38.51 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 -5.44 1.48 0.00 -1.08 -0.04 -1.26 -3.12 135.00 125.53 2jx3 n PRO 57 Ca 0.12 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 2jx3 n PRO 57 Cb 0.41 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 3.82 0.00 -4.24 0.54 -1.74 -0.50 -4.93 117.46 110.41 2jx3 n PHE 58 Ca 0.31 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.92 2jx3 n PHE 58 Cb 0.21 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.12 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 3.35 2.12 0.00 3.97 2.02 -1.26 -4.85 118.70 124.04 2jx3 s GLU 59 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.91 2jx3 s GLU 59 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2jx3 s GLU 59 CO 0.00 0.49 0.00 0.36 0.02 0.00 0.00 175.26 176.13 2jx3 n LYS 60 N 0.53 2.38 -1.13 1.61 2.85 -1.26 -4.68 118.16 118.46 2jx3 n LYS 60 Ca -0.13 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.09 2jx3 n LYS 60 Cb 0.53 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.89 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 5.00 0.49 3.85 2.58 0.00 -1.26 -4.93 105.19 110.91 2jx3 n GLY 61 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.20 5.18 0.25 1.61 0.01 -1.26 -4.96 113.70 112.33 2jx3 s SER 62 Ca 0.00 -0.58 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 2jx3 s SER 62 Cb 0.00 -0.86 0.50 0.00 0.21 0.00 0.00 66.02 65.87 2jx3 s SER 62 CO 0.00 -0.42 1.69 -0.37 0.41 0.00 0.00 173.24 174.55 2jx3 h VAL 63 N 1.22 0.53 -0.45 3.43 -1.51 -1.98 -0.29 116.25 117.20 2jx3 h VAL 63 Ca -0.44 -0.11 -0.10 0.00 -1.23 0.00 0.00 66.70 64.83 2jx3 h VAL 63 Cb 1.26 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2jx3 h VAL 63 CO 0.59 0.06 -0.09 0.06 -1.23 0.00 0.00 177.57 176.96 2jx3 h GLN 64 N 0.32 0.86 -0.39 5.19 3.07 -1.96 -2.86 115.11 119.34 2jx3 h GLN 64 Ca 0.44 -0.32 0.04 0.00 0.09 0.00 0.00 58.65 58.90 2jx3 h GLN 64 Cb 0.75 -0.05 -0.06 0.00 0.08 0.00 0.00 27.48 28.19 2jx3 h GLN 64 CO -0.50 0.95 -0.38 -0.92 0.09 0.00 0.00 178.83 178.07 2jx3 h TYR 65 N 0.70 -1.20 -0.71 0.06 3.20 -1.34 0.34 116.97 118.03 2jx3 h TYR 65 Ca 0.12 0.07 0.14 0.00 3.14 0.00 0.00 58.73 62.19 2jx3 h TYR 65 Cb 0.62 0.57 -0.10 0.00 1.54 0.00 0.00 36.73 39.37 2jx3 h TYR 65 CO 0.05 -0.31 0.23 0.87 -1.64 0.00 0.00 178.16 177.36 2jx3 h LYS 66 N -0.20 0.35 -0.46 1.82 6.56 -1.53 -1.72 116.57 121.40 2jx3 h LYS 66 Ca 0.07 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.68 2jx3 h LYS 66 Cb 0.37 -0.08 -0.08 0.00 -0.57 0.00 0.00 32.23 31.87 2jx3 h LYS 66 CO -0.47 0.23 -0.52 -0.22 -2.06 0.00 0.00 179.45 176.42 2jx3 h LYS 67 N 0.36 -0.30 -0.67 3.15 1.63 -0.14 0.63 116.57 121.24 2jx3 h LYS 67 Ca 0.39 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.35 2jx3 h LYS 67 Cb 0.61 0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 32.18 2jx3 h LYS 67 CO -0.43 -0.20 -0.18 0.87 -3.45 0.00 0.00 179.45 176.07 2jx3 h LYS 68 N -0.31 -0.01 -0.99 1.90 6.56 -0.23 0.10 116.57 123.59 2jx3 h LYS 68 Ca 0.08 0.00 0.32 0.00 -1.06 0.00 0.00 60.65 59.99 2jx3 h LYS 68 Cb 0.52 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.00 2jx3 h LYS 68 CO -0.60 -0.00 0.22 1.49 -2.06 0.00 0.00 179.45 178.50 2jx3 h GLU 69 N -0.01 0.01 0.21 3.15 4.81 -0.61 0.68 114.58 122.82 2jx3 h GLU 69 Ca 0.32 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2jx3 h GLU 69 Cb 0.49 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2jx3 h GLU 69 CO -0.69 0.01 -0.10 0.93 -0.73 0.00 0.00 179.01 178.43 2jx3 h GLU 70 N 0.02 -0.27 -0.89 1.92 5.08 -0.63 -1.75 114.58 118.06 2jx3 h GLU 70 Ca 0.69 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 59.21 2jx3 h GLU 70 Cb 1.59 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.81 2jx3 h GLU 70 CO -0.86 -0.18 0.50 0.52 -1.00 0.00 0.00 179.01 177.99 2jx3 h MET 71 N -0.66 0.71 0.00 2.33 2.86 -1.18 0.53 114.93 119.52 2jx3 h MET 71 Ca -0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2jx3 h MET 71 Cb 0.21 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2jx3 h MET 71 CO 0.05 0.47 -0.08 -0.07 1.06 0.00 0.00 176.91 178.34 2jx3 h LEU 72 N 0.73 0.00 0.08 1.22 3.38 0.27 -2.26 115.31 118.73 2jx3 h LEU 72 Ca 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 2jx3 h LEU 72 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2jx3 h LEU 72 CO -0.33 0.08 -0.04 0.50 0.09 0.00 0.00 178.44 178.73 2jx3 h LYS 73 N 0.00 -0.11 -0.81 1.13 3.64 0.10 2.48 116.57 123.00 2jx3 h LYS 73 Ca -0.00 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.58 2jx3 h LYS 73 Cb 0.48 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.20 2jx3 h LYS 73 CO 0.01 -0.07 0.24 0.87 -2.27 0.00 0.00 179.45 178.23 2jx3 h LYS 74 N -0.15 0.28 0.00 1.90 1.79 -1.54 2.02 116.57 120.87 2jx3 h LYS 74 Ca -0.01 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 2jx3 h LYS 74 Cb 0.09 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2jx3 h LYS 74 CO 0.02 0.19 -0.24 0.74 -1.08 0.00 0.00 179.45 179.07 2jx3 h PHE 75 N 0.29 0.00 -0.64 -1.35 0.04 -1.33 -2.62 116.94 111.32 2jx3 h PHE 75 Ca 0.48 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.38 2jx3 h PHE 75 Cb 0.89 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.92 2jx3 h PHE 75 CO -0.24 0.24 -0.15 -0.09 -0.60 0.00 0.00 178.31 177.47 2jx3 h ARG 76 N 0.00 0.00 0.49 1.51 2.43 1.90 2.02 114.38 122.73 2jx3 h ARG 76 Ca -0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2jx3 h ARG 76 Cb 0.49 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2jx3 h ARG 76 CO 0.03 0.00 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.35 2jx3 h ASN 77 N 0.00 -0.56 0.17 -3.80 -0.26 -1.32 -2.87 115.58 106.94 2jx3 h ASN 77 Ca 0.31 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.06 2jx3 h ASN 77 Cb 0.48 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 2jx3 h ASN 77 CO -0.66 -0.29 -0.08 0.00 -1.06 0.00 0.00 177.43 175.34 2jx3 h ALA 78 N -1.49 -0.47 -0.99 -0.83 0.00 -1.33 -3.01 119.26 111.15 2jx3 h ALA 78 Ca -0.07 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.92 2jx3 h ALA 78 Cb 0.50 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 2jx3 h ALA 78 CO 0.11 -0.45 -0.48 1.98 0.00 0.00 0.00 179.25 180.41 2jx3 h MET 79 N -0.46 -0.01 -0.78 0.00 -1.53 0.30 0.59 114.93 113.05 2jx3 h MET 79 Ca -0.02 0.00 0.13 0.00 -3.44 0.00 0.00 59.70 56.37 2jx3 h MET 79 Cb 0.17 0.00 -0.09 0.00 -0.55 0.00 0.00 31.60 31.13 2jx3 h MET 79 CO 0.04 -0.00 0.37 -0.07 0.14 0.00 0.00 176.91 177.38 2jx3 h LEU 80 N -0.01 0.43 -0.50 3.39 3.38 -1.11 1.59 115.31 122.48 2jx3 h LEU 80 Ca 0.26 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.36 2jx3 h LEU 80 Cb 0.51 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 2jx3 h LEU 80 CO -0.96 0.20 -0.36 0.50 0.09 0.00 0.00 178.44 177.91 2jx3 h LYS 81 N 0.56 -0.07 0.07 1.13 1.63 0.33 1.09 116.57 121.31 2jx3 h LYS 81 Ca 0.41 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.21 2jx3 h LYS 81 Cb 0.55 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2jx3 h LYS 81 CO -0.35 -0.05 -0.03 1.03 -3.45 0.00 0.00 179.45 176.60 2jx3 h SER 82 N -0.08 -0.08 -0.10 4.20 0.87 -1.23 -2.96 113.55 114.17 2jx3 h SER 82 Ca 0.08 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2jx3 h SER 82 Cb 0.29 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2jx3 h SER 82 CO -0.51 0.47 -0.17 0.40 -0.53 0.00 0.00 176.83 176.49 2jx3 h ILE 83 N -1.01 0.00 -0.92 2.23 1.08 0.24 0.54 117.51 119.67 2jx3 h ILE 83 Ca -0.01 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.72 2jx3 h ILE 83 Cb 0.22 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.82 2jx3 h ILE 83 CO 0.02 0.00 0.29 0.00 -0.69 0.00 0.00 178.15 177.76 2jx3 h GLU 85 N 0.20 0.14 -1.67 0.00 4.81 -0.71 -2.32 114.58 115.02 2jx3 h GLU 85 Ca 0.60 -0.01 -0.44 0.00 -0.13 0.00 0.00 59.36 59.38 2jx3 h GLU 85 Cb 1.27 -0.03 -0.40 0.00 0.63 0.00 0.00 28.75 30.22 2jx3 h GLU 85 CO -0.68 0.09 -1.20 0.28 -0.73 0.00 0.00 179.01 176.78 2jx3 n VAL 86 N -4.51 0.22 -2.73 0.32 0.31 0.49 -4.89 118.33 107.54 2jx3 n VAL 86 Ca 0.33 -4.09 -0.01 0.00 -0.01 0.00 0.00 64.34 60.55 2jx3 n VAL 86 Cb 1.31 0.04 0.05 0.00 -0.91 0.00 0.00 33.84 34.32 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 0.17 1.76 -2.27 7.52 7.94 -0.15 -4.41 117.00 127.55 2jx3 n LEU 87 Ca 0.20 -3.03 -0.16 0.00 -1.11 0.00 0.00 56.01 51.91 2jx3 n LEU 87 Cb 0.71 0.35 0.03 0.00 0.53 0.00 0.00 43.42 45.05 2jx3 n LEU 87 CO 0.23 1.05 0.04 -0.67 -1.11 0.00 0.00 177.39 176.93 2jx3 n ASP 88 N -0.48 -4.79 -3.90 1.96 -0.08 -1.26 -4.91 116.55 103.09 2jx3 n ASP 88 Ca 0.10 -0.24 -0.13 0.00 -1.51 0.00 0.00 54.79 53.01 2jx3 n ASP 88 Cb 0.85 -3.58 -0.08 0.00 2.34 0.00 0.00 41.12 40.65 2jx3 n ASP 88 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2jx3 s LEU 89 N -4.90 0.98 -0.06 -2.67 1.43 -1.26 -5.06 118.68 107.14 2jx3 s LEU 89 Ca 0.26 -1.33 0.10 0.00 -1.03 0.00 0.00 54.13 52.13 2jx3 s LEU 89 Cb -0.11 0.93 0.16 0.00 0.03 0.00 0.00 46.19 47.19 2jx3 s LEU 89 CO 0.32 -1.02 1.08 1.21 0.23 0.00 0.00 176.35 178.18 2jx3 n GLU 90 N -0.39 0.61 -2.32 1.70 4.07 -1.26 -4.78 120.64 118.28 2jx3 n GLU 90 Ca 0.02 -1.81 -0.01 0.00 -0.06 0.00 0.00 57.16 55.30 2jx3 n GLU 90 Cb 0.64 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 31.06 2jx3 n GLU 90 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2jx3 n ARG 91 N -0.65 -2.27 -3.84 5.31 0.63 -1.26 -5.07 116.66 109.51 2jx3 n ARG 91 Ca 0.08 1.99 -0.05 0.00 -0.92 0.00 0.00 57.85 58.95 2jx3 n ARG 91 Cb 0.69 -3.97 0.01 0.00 0.45 0.00 0.00 32.46 29.65 2jx3 n ARG 91 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jx3 s SER 92 N -1.19 -0.03 0.00 6.15 0.15 -1.26 -5.16 113.70 112.36 2jx3 s SER 92 Ca 0.02 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2jx3 s SER 92 Cb -0.00 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2jx3 s SER 92 CO 0.52 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2jx3 n GLY 93 N -0.61 -1.00 4.02 9.45 0.00 -1.26 -4.80 105.19 110.99 2jx3 n GLY 93 Ca -0.05 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 2jx3 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jx3 s VAL 94 N -1.75 2.47 0.16 1.61 0.11 -1.26 -4.87 120.40 116.87 2jx3 s VAL 94 Ca 0.00 -0.97 -0.24 0.00 -2.93 0.00 0.00 61.98 57.84 2jx3 s VAL 94 Cb 0.00 -2.50 0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2jx3 s VAL 94 CO 0.00 0.00 1.60 -0.55 -3.33 0.00 0.00 175.10 172.82 2jx3 h ASN 95 N 0.31 -1.07 -0.85 3.54 7.08 -1.99 0.11 115.58 122.71 2jx3 h ASN 95 Ca -0.34 0.18 0.15 0.00 -3.08 0.00 0.00 56.30 53.21 2jx3 h ASN 95 Cb 1.28 0.49 -0.06 0.00 -2.08 0.00 0.00 38.32 37.95 2jx3 h ASN 95 CO 0.43 -0.33 0.55 -1.28 -2.08 0.00 0.00 177.43 174.72 2jx3 h SER 96 N -0.29 0.55 0.91 6.14 0.87 -2.00 0.57 113.55 120.30 2jx3 h SER 96 Ca 0.15 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2jx3 h SER 96 Cb 0.54 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2jx3 h SER 96 CO -0.49 0.28 -0.59 -0.08 -0.53 0.00 0.00 176.83 175.41 2jx3 h GLU 97 N 0.58 0.00 0.40 2.24 4.22 -1.25 -2.18 114.58 118.59 2jx3 h GLU 97 Ca 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.84 2jx3 h GLU 97 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jx3 h GLU 97 CO -0.17 0.59 -0.19 -0.07 -2.18 0.00 0.00 179.01 176.98 2jx3 h LEU 98 N 0.00 -0.46 0.06 1.64 3.38 0.11 -2.44 115.31 117.60 2jx3 h LEU 98 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jx3 h LEU 98 Cb 1.21 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2jx3 h LEU 98 CO 0.08 -0.02 -0.07 0.58 0.09 0.00 0.00 178.44 179.10 2jx3 h VAL 99 N -1.06 0.84 -0.86 1.22 2.07 -1.51 -0.06 116.25 116.89 2jx3 h VAL 99 Ca -0.06 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.71 2jx3 h VAL 99 Cb 0.51 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2jx3 h VAL 99 CO 0.09 0.00 0.73 0.50 0.02 0.00 0.00 177.57 178.91 2jx3 h LYS 100 N -0.15 0.00 -0.04 1.57 3.64 -1.48 0.75 116.57 120.86 2jx3 h LYS 100 Ca 0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 2jx3 h LYS 100 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2jx3 h LYS 100 CO -0.03 0.00 -0.69 -0.09 -2.27 0.00 0.00 179.45 176.37 2jx3 h ARG 101 N 0.00 0.19 -0.05 1.90 9.65 -0.49 -2.51 114.38 123.07 2jx3 h ARG 101 Ca 0.41 -0.15 -0.10 0.00 -1.10 0.00 0.00 59.98 59.03 2jx3 h ARG 101 Cb 1.87 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 30.47 2jx3 h ARG 101 CO -0.00 0.81 -0.44 -0.84 2.80 0.00 0.00 179.97 182.30 2jx3 h ILE 102 N 0.13 1.32 0.00 1.20 -0.00 0.77 1.27 117.51 122.20 2jx3 h ILE 102 Ca -0.02 -1.55 -0.10 0.00 -0.00 0.00 0.00 64.86 63.19 2jx3 h ILE 102 Cb 1.23 1.77 -0.01 0.00 -0.00 0.00 0.00 36.82 39.81 2jx3 h ILE 102 CO 0.10 0.45 -0.48 -0.07 -0.00 0.00 0.00 178.15 178.15 2jx3 h LEU 103 N 0.09 0.00 0.00 0.16 3.38 -1.39 -0.57 115.31 116.98 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 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2jx3 h LEU 103 CO 0.06 0.48 -1.32 0.59 0.09 0.00 0.00 178.44 178.35 2jx3 n ASN 104 N -3.25 0.66 0.00 -0.43 3.02 -0.96 -4.05 115.26 110.26 2jx3 n ASN 104 Ca 0.02 -0.64 -0.01 0.00 -0.03 0.00 0.00 54.58 53.92 2jx3 n ASN 104 Cb 0.71 1.30 -0.00 0.00 -0.61 0.00 0.00 39.78 41.19 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 -1.76 0.00 0.23 3.10 -0.00 0.43 -3.73 117.46 115.73 2jx3 n PHE 105 Ca 0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.61 2jx3 n PHE 105 Cb 0.41 -0.03 0.76 0.00 -0.00 0.00 0.00 39.48 40.63 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 -0.06 0.00 -0.74 -2.13 -0.00 -1.23 0.36 115.31 111.51 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 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2jx3 h LEU 106 CO 0.00 0.00 -0.30 0.23 -0.00 0.00 0.00 178.44 178.37 2jx3 n MET 107 N -2.52 1.97 0.00 1.13 2.81 -0.62 -4.55 117.12 115.34 2jx3 n MET 107 Ca -0.02 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 2jx3 n MET 107 Cb 0.11 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2jx3 n MET 107 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 2jx3 n HIS 108 N -0.30 0.00 0.00 2.03 -0.00 0.99 -3.39 115.22 114.56 2jx3 n HIS 108 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2jx3 n HIS 108 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2jx3 n HIS 108 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2jx3 n PRO 109 N 0.00 0.00 -0.62 1.57 -0.04 0.28 -3.98 135.00 132.21 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 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.31 2jx3 n PRO 109 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09