#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx3 s THR 2 N 0.00 -0.76 -0.08 1.97 2.01 -1.26 -5.04 115.64 112.48 2jx3 s THR 2 Ca 0.00 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 2jx3 s THR 2 Cb 0.00 0.00 -0.04 0.00 0.01 0.00 0.00 72.50 72.47 2jx3 s THR 2 CO 0.00 0.00 -0.13 -0.38 -0.69 0.00 0.00 174.62 173.42 2jx3 n ILE 3 N 3.50 0.72 -3.33 1.82 5.41 -1.26 -5.00 119.36 121.22 2jx3 n ILE 3 Ca 0.13 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.72 2jx3 n ILE 3 Cb 0.59 -1.68 -0.07 0.00 -0.71 0.00 0.00 39.64 37.76 2jx3 n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jx3 s ALA 4 N -2.21 -0.93 -0.15 -1.39 0.00 -1.26 -4.51 121.76 111.30 2jx3 s ALA 4 Ca -0.13 -0.14 0.17 0.00 0.00 0.00 0.00 51.96 51.86 2jx3 s ALA 4 Cb 0.04 -2.04 0.33 0.00 0.00 0.00 0.00 23.12 21.45 2jx3 s ALA 4 CO 0.17 -1.84 1.18 1.04 0.00 0.00 0.00 175.76 176.31 2jx3 n GLN 5 N 5.09 1.40 -0.57 0.00 6.02 -1.26 -4.63 117.38 123.44 2jx3 n GLN 5 Ca 0.02 -2.76 -0.01 0.00 -0.01 0.00 0.00 57.00 54.24 2jx3 n GLN 5 Cb 0.48 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 30.19 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 -1.34 0.88 0.05 1.08 0.00 -1.26 -4.91 105.19 99.69 2jx3 n GLY 6 Ca 0.17 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2jx3 n GLY 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jx3 n LYS 7 N 0.01 0.64 0.00 1.61 4.76 -1.26 -5.01 118.16 118.91 2jx3 n LYS 7 Ca -0.03 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2jx3 n LYS 7 Cb 0.56 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2jx3 n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jx3 n GLY 8 N 1.27 2.86 0.24 0.72 0.00 -1.26 -4.53 105.19 104.49 2jx3 n GLY 8 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2jx3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jx3 n GLN 9 N 0.00 0.00 0.00 1.61 10.64 -1.26 -5.04 117.38 123.32 2jx3 n GLN 9 Ca 0.00 -0.40 0.00 0.00 -1.83 0.00 0.00 57.00 54.77 2jx3 n GLN 9 Cb 0.00 -0.27 0.00 0.00 -0.86 0.00 0.00 30.24 29.11 2jx3 n GLN 9 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2jx3 n LYS 10 N 0.00 0.00 -0.00 2.61 0.00 -1.26 -2.71 118.16 116.80 2jx3 n LYS 10 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2jx3 n LYS 10 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.56 2jx3 n LYS 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2jx3 n LEU 11 N 0.00 0.13 -0.03 -5.58 7.94 -1.19 -4.33 117.00 113.94 2jx3 n LEU 11 Ca 0.00 -0.41 -0.17 0.00 -1.11 0.00 0.00 56.01 54.32 2jx3 n LEU 11 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 2jx3 n LEU 11 CO 0.00 0.03 -0.85 0.00 -1.11 0.00 0.00 177.39 175.47 2jx3 h GLU 13 N 0.04 -0.10 -5.09 0.00 4.22 -1.77 -3.37 114.58 108.51 2jx3 h GLU 13 Ca -0.42 0.01 -0.41 0.00 0.08 0.00 0.00 59.36 58.62 2jx3 h GLU 13 Cb 2.03 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.21 2jx3 h GLU 13 CO 0.06 -0.06 1.71 0.44 -2.18 0.00 0.00 179.01 178.97 2jx3 n ILE 14 N -2.63 -0.01 -0.17 2.32 -5.35 -1.23 -4.71 119.36 107.58 2jx3 n ILE 14 Ca -0.01 -0.30 0.06 0.00 -0.27 0.00 0.00 62.75 62.22 2jx3 n ILE 14 Cb 0.05 -0.66 0.35 0.00 -1.74 0.00 0.00 39.64 37.63 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 12.45 0.75 0.86 6.28 5.08 -1.91 0.84 114.58 138.93 2jx3 h GLU 15 Ca -0.03 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2jx3 h GLU 15 Cb 1.22 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.31 2jx3 h GLU 15 CO 1.42 0.49 -0.41 0.00 -1.00 0.00 0.00 179.01 179.52 2jx3 h ARG 16 N 0.77 -1.11 -0.44 2.33 2.47 -1.94 0.63 114.38 117.09 2jx3 h ARG 16 Ca 0.29 0.08 -0.09 0.00 -1.26 0.00 0.00 59.98 59.00 2jx3 h ARG 16 Cb 0.19 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2jx3 h ARG 16 CO -0.09 -0.74 -0.08 0.82 0.56 0.00 0.00 179.97 180.43 2jx3 h ILE 17 N -1.30 1.27 -0.48 2.04 2.04 -1.88 -2.86 117.51 116.34 2jx3 h ILE 17 Ca -0.12 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 2jx3 h ILE 17 Cb 0.89 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2jx3 h ILE 17 CO 0.19 0.40 0.09 -0.74 0.00 0.00 0.00 178.15 178.09 2jx3 h HIS 18 N 0.65 0.76 0.00 1.37 2.76 0.70 -2.83 115.15 118.57 2jx3 h HIS 18 Ca 0.11 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2jx3 h HIS 18 Cb 0.61 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2jx3 h HIS 18 CO 0.05 0.67 0.00 0.34 -1.30 0.00 0.00 177.93 177.69 2jx3 n PHE 19 N -4.27 0.00 -0.32 5.26 7.35 0.22 -0.59 117.46 125.11 2jx3 n PHE 19 Ca 0.03 0.00 0.34 0.00 -0.76 0.00 0.00 57.45 57.06 2jx3 n PHE 19 Cb 0.23 -0.41 0.58 0.00 0.35 0.00 0.00 39.48 40.23 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 0.05 -5.13 3.04 -1.57 1.69 116.94 115.03 2jx3 h PHE 20 Ca 0.00 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.69 2jx3 h PHE 20 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 2jx3 h PHE 20 CO 0.18 0.00 -1.29 -0.07 -2.02 0.00 0.00 178.31 175.11 2jx3 h LEU 21 N 0.00 0.17 -1.41 0.59 -0.00 -1.19 -3.27 115.31 110.20 2jx3 h LEU 21 Ca 0.58 -0.22 0.13 0.00 -0.00 0.00 0.00 57.88 58.37 2jx3 h LEU 21 Cb 2.94 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 43.52 2jx3 h LEU 21 CO -0.01 1.18 0.74 0.28 -0.00 0.00 0.00 178.44 180.63 2jx3 h SER 22 N 0.03 0.00 -2.00 -0.43 0.02 0.50 -1.23 113.55 110.44 2jx3 h SER 22 Ca -0.14 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.04 2jx3 h SER 22 Cb 1.91 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 64.20 2jx3 h SER 22 CO 0.14 0.00 1.14 0.29 -1.14 0.00 0.00 176.83 177.26 2jx3 n LYS 23 N -3.22 4.33 0.00 3.45 5.02 -1.23 -4.98 118.16 121.53 2jx3 n LYS 23 Ca 0.09 -4.05 0.00 0.00 -2.02 0.00 0.00 58.31 52.33 2jx3 n LYS 23 Cb 0.90 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2jx3 n LYS 23 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jx3 n LYS 24 N 0.01 1.67 -3.57 1.97 4.76 -0.47 -4.95 118.16 117.58 2jx3 n LYS 24 Ca 0.51 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.78 2jx3 n LYS 24 Cb 0.27 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.39 2jx3 n LYS 24 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jx3 s LYS 25 N 0.00 0.98 0.07 1.97 1.02 -1.26 -5.03 119.74 117.49 2jx3 s LYS 25 Ca 0.00 0.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.98 2jx3 s LYS 25 Cb 0.00 0.46 -0.10 0.00 -0.52 0.00 0.00 37.83 37.67 2jx3 s LYS 25 CO 0.00 -0.29 1.38 1.15 -0.92 0.00 0.00 175.35 176.67 2jx3 h THR 26 N 3.21 0.00 -0.30 2.17 2.02 -1.99 0.27 112.91 118.29 2jx3 h THR 26 Ca -0.28 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.97 2jx3 h THR 26 Cb 1.15 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 2jx3 h THR 26 CO 0.37 0.00 -0.36 -0.78 0.37 0.00 0.00 175.52 175.12 2jx3 h ASP 27 N -0.50 -1.17 0.10 4.18 3.58 -1.99 -0.06 116.42 120.56 2jx3 h ASP 27 Ca 0.00 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.65 2jx3 h ASP 27 Cb 0.51 0.52 -0.05 0.00 1.72 0.00 0.00 39.33 42.04 2jx3 h ASP 27 CO -0.22 -0.36 -0.42 -0.33 -2.88 0.00 0.00 179.24 175.04 2jx3 h GLU 28 N -0.34 -0.62 -0.51 0.28 5.08 -1.88 0.26 114.58 116.85 2jx3 h GLU 28 Ca 0.13 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 2jx3 h GLU 28 Cb 0.56 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2jx3 h GLU 28 CO -0.48 -0.41 0.57 1.25 -1.00 0.00 0.00 179.01 178.94 2jx3 h LEU 29 N -0.64 0.00 0.50 1.33 7.12 0.19 -1.26 115.31 122.55 2jx3 h LEU 29 Ca 0.02 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 2jx3 h LEU 29 Cb 0.68 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 2jx3 h LEU 29 CO -0.25 0.00 -0.24 -0.09 -0.13 0.00 0.00 178.44 177.73 2jx3 h ARG 30 N 0.00 -0.64 -0.46 1.25 2.43 0.14 0.98 114.38 118.08 2jx3 h ARG 30 Ca 0.24 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 2jx3 h ARG 30 Cb 1.39 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 2jx3 h ARG 30 CO -0.00 -0.35 -0.09 -2.95 -1.51 0.00 0.00 179.97 175.07 2jx3 h ASN 31 N -0.89 0.80 0.00 -3.80 -1.07 -1.04 -2.10 115.58 107.48 2jx3 h ASN 31 Ca -0.07 -0.23 0.00 0.00 0.07 0.00 0.00 56.30 56.07 2jx3 h ASN 31 Cb 0.60 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 2jx3 h ASN 31 CO 0.11 0.92 0.00 0.18 0.07 0.00 0.00 177.43 178.71 2jx3 n LEU 32 N -4.17 0.31 -0.09 6.14 4.77 -0.77 -2.29 117.00 120.90 2jx3 n LEU 32 Ca 0.02 0.62 0.25 0.00 -0.03 0.00 0.00 56.01 56.87 2jx3 n LEU 32 Cb 0.36 -0.41 0.57 0.00 -2.33 0.00 0.00 43.42 41.60 2jx3 n LEU 32 CO 0.43 -0.41 1.23 -0.74 -1.33 0.00 0.00 177.39 176.57 2jx3 h HIS 33 N 0.00 0.00 -0.02 -1.77 2.76 -0.92 1.36 115.15 116.56 2jx3 h HIS 33 Ca 0.00 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.92 2jx3 h HIS 33 Cb 0.00 0.00 0.02 0.00 1.55 0.00 0.00 27.41 28.98 2jx3 h HIS 33 CO 0.08 0.00 -0.99 -0.22 -1.30 0.00 0.00 177.93 175.50 2jx3 h LYS 34 N 0.00 0.65 0.00 5.26 3.11 -1.37 0.17 116.57 124.39 2jx3 h LYS 34 Ca 0.38 -0.68 -0.33 0.00 -2.81 0.00 0.00 60.65 57.21 2jx3 h LYS 34 Cb 2.20 0.19 -0.05 0.00 -1.00 0.00 0.00 32.23 33.57 2jx3 h LYS 34 CO -0.00 1.27 -2.10 -0.11 -2.81 0.00 0.00 179.45 175.70 2jx3 n LEU 35 N -3.84 1.63 0.22 5.20 0.00 0.19 -3.04 117.00 117.36 2jx3 n LEU 35 Ca -0.10 0.19 -0.15 0.00 0.00 0.00 0.00 56.01 55.95 2jx3 n LEU 35 Cb 0.86 -0.59 -0.07 0.00 0.00 0.00 0.00 43.42 43.61 2jx3 n LEU 35 CO 0.55 0.47 0.66 0.25 0.00 0.00 0.00 177.39 179.32 2jx3 h LEU 36 N -0.61 -0.82 -1.42 -1.96 5.85 0.13 -3.13 115.31 113.35 2jx3 h LEU 36 Ca -0.49 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2jx3 h LEU 36 Cb 1.47 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.77 2jx3 h LEU 36 CO -0.27 -0.45 -0.23 0.00 -0.34 0.00 0.00 178.44 177.15 2jx3 n TYR 37 N -5.43 0.00 -1.67 1.25 4.19 -1.20 -4.94 117.16 109.36 2jx3 n TYR 37 Ca -0.10 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.02 2jx3 n TYR 37 Cb 0.33 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.13 2jx3 n TYR 37 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2jx3 n ASN 38 N 0.61 -2.62 -4.52 2.98 5.15 -0.26 -4.89 115.26 111.71 2jx3 n ASN 38 Ca 0.11 0.24 -0.25 0.00 -0.60 0.00 0.00 54.58 54.08 2jx3 n ASN 38 Cb 0.51 -2.48 -0.10 0.00 -0.53 0.00 0.00 39.78 37.17 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 -3.54 1.76 -0.39 1.20 6.06 0.43 -4.94 118.95 119.53 2jx3 s ARG 39 Ca 0.00 -1.90 -0.29 0.00 -2.50 0.00 0.00 55.73 51.04 2jx3 s ARG 39 Cb 0.00 -1.62 0.00 0.00 0.06 0.00 0.00 34.95 33.39 2jx3 s ARG 39 CO 0.00 0.14 1.53 -1.25 -2.50 0.00 0.00 175.30 173.21 2jx3 s PRO 40 N -3.62 3.51 -0.39 5.12 0.04 -1.26 -3.82 135.00 134.57 2jx3 s PRO 40 Ca 0.32 1.09 -0.39 0.00 0.04 0.00 0.00 61.00 62.05 2jx3 s PRO 40 Cb 0.02 -4.08 -0.15 0.00 0.04 0.00 0.00 34.50 30.34 2jx3 s PRO 40 CO 0.16 -1.65 2.08 0.41 0.04 0.00 0.00 177.00 178.04 2jx3 n GLY 41 N 5.18 0.32 3.18 0.56 0.00 -1.26 -4.87 105.19 108.30 2jx3 n GLY 41 Ca 0.18 1.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.97 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 6.11 1.37 0.25 2.61 -4.23 -1.26 -4.83 115.64 115.66 2jx3 s THR 42 Ca 1.11 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2jx3 s THR 42 Cb -1.13 -1.18 0.37 0.00 1.34 0.00 0.00 72.50 71.89 2jx3 s THR 42 CO 0.59 0.21 1.31 0.52 -0.54 0.00 0.00 174.62 176.71 2jx3 n VAL 43 N 2.18 -0.35 -0.18 2.29 0.31 -1.26 0.26 118.33 121.59 2jx3 n VAL 43 Ca -0.16 1.87 -0.07 0.00 -0.01 0.00 0.00 64.34 65.96 2jx3 n VAL 43 Cb 0.54 -2.67 0.02 0.00 -0.91 0.00 0.00 33.84 30.82 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 0.00 0.63 0.00 4.52 0.87 -1.98 -2.99 113.55 114.60 2jx3 h SER 44 Ca 0.46 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2jx3 h SER 44 Cb 0.87 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2jx3 h SER 44 CO -0.82 0.53 -0.07 0.28 -0.53 0.00 0.00 176.83 176.23 2jx3 h SER 45 N 0.68 0.00 -0.06 6.23 0.02 0.11 -2.81 113.55 117.71 2jx3 h SER 45 Ca 0.18 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2jx3 h SER 45 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2jx3 h SER 45 CO -0.03 0.59 -0.04 0.18 -1.14 0.00 0.00 176.83 176.39 2jx3 n LEU 46 N -4.74 -0.07 -0.05 5.07 4.77 0.74 0.24 117.00 122.96 2jx3 n LEU 46 Ca -0.02 0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 2jx3 n LEU 46 Cb 0.08 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2jx3 n LEU 46 CO 0.05 -0.23 0.47 0.50 -1.33 0.00 0.00 177.39 176.85 2jx3 h LYS 47 N 0.00 0.51 0.03 3.23 3.64 -1.71 -2.92 116.57 119.35 2jx3 h LYS 47 Ca 0.01 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2jx3 h LYS 47 Cb 0.03 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2jx3 h LYS 47 CO -0.06 0.96 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.84 2jx3 h LYS 48 N 0.13 -0.04 -0.97 1.90 3.64 -0.28 -2.85 116.57 118.10 2jx3 h LYS 48 Ca -0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 2jx3 h LYS 48 Cb 0.96 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.61 2jx3 h LYS 48 CO 0.08 -0.03 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.05 2jx3 h ASN 49 N -0.10 -1.00 0.11 4.20 4.21 0.29 1.42 115.58 124.71 2jx3 h ASN 49 Ca -0.00 0.29 -0.00 0.00 1.21 0.00 0.00 56.30 57.80 2jx3 h ASN 49 Cb 0.03 0.63 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 2jx3 h ASN 49 CO 0.01 -0.31 -0.18 0.58 -1.29 0.00 0.00 177.43 176.23 2jx3 h VAL 50 N -0.00 0.00 -0.00 2.81 2.07 -1.42 0.13 116.25 119.83 2jx3 h VAL 50 Ca 0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.96 2jx3 h VAL 50 Cb 0.69 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2jx3 h VAL 50 CO -0.99 0.00 0.00 1.23 0.02 0.00 0.00 177.57 177.83 2jx3 h GLY 51 N -0.31 0.00 -6.51 2.17 0.00 -0.95 -3.23 103.07 94.24 2jx3 h GLY 51 Ca -0.01 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.72 2jx3 h GLY 51 CO -0.06 0.00 -0.76 -1.06 0.00 0.00 0.00 176.54 174.65 2jx3 n GLN 52 N -3.60 1.42 0.00 4.80 1.13 0.48 0.29 117.38 121.90 2jx3 n GLN 52 Ca -0.03 -4.01 0.11 0.00 -1.94 0.00 0.00 57.00 51.13 2jx3 n GLN 52 Cb 0.08 -1.95 -0.07 0.00 0.11 0.00 0.00 30.24 28.41 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 1.81 0.06 -3.16 1.08 7.35 0.31 -4.29 117.46 120.62 2jx3 n PHE 53 Ca 0.25 0.02 -0.12 0.00 -0.76 0.00 0.00 57.45 56.84 2jx3 n PHE 53 Cb 0.43 -0.22 0.01 0.00 0.35 0.00 0.00 39.48 40.05 2jx3 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2jx3 n SER 54 N -1.76 -7.10 0.00 -2.13 2.88 -1.26 -4.85 113.62 99.40 2jx3 n SER 54 Ca 0.02 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2jx3 n SER 54 Cb 0.40 -4.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.58 2jx3 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jx3 n GLY 55 N -0.99 0.02 0.00 0.46 0.00 -1.26 -4.97 105.19 98.45 2jx3 n GLY 55 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.30 0.00 -0.81 1.61 3.01 -1.26 -2.71 117.46 117.00 2jx3 n PHE 56 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 2jx3 n PHE 56 Cb 0.00 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 39.24 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 -1.23 2.03 0.00 -1.08 -0.04 -1.26 -3.60 135.00 129.82 2jx3 n PRO 57 Ca 0.00 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 2jx3 n PRO 57 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 3.42 0.00 -4.20 0.54 -1.74 -1.10 -4.72 117.46 109.66 2jx3 n PHE 58 Ca 0.43 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 57.03 2jx3 n PHE 58 Cb 0.37 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.34 2jx3 n PHE 58 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 2jx3 n GLU 59 N 0.00 0.69 -4.15 3.97 2.13 -1.26 -4.93 120.64 117.09 2jx3 n GLU 59 Ca 0.00 -3.62 -0.10 0.00 0.66 0.00 0.00 57.16 54.10 2jx3 n GLU 59 Cb 0.00 0.60 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 2jx3 n GLU 59 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2jx3 s LYS 60 N -4.16 0.98 -0.36 5.31 2.20 -1.26 -4.79 119.74 117.65 2jx3 s LYS 60 Ca 0.21 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 2jx3 s LYS 60 Cb -0.02 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2jx3 s LYS 60 CO 0.13 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 2jx3 n GLY 61 N -0.12 0.44 3.56 5.54 0.00 -1.26 -5.00 105.19 108.35 2jx3 n GLY 61 Ca -0.04 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.89 3.21 0.23 1.61 0.01 -1.26 -4.99 113.70 109.62 2jx3 s SER 62 Ca 0.00 -1.43 -0.06 0.00 1.31 0.00 0.00 55.95 55.76 2jx3 s SER 62 Cb 0.00 -0.08 0.40 0.00 0.21 0.00 0.00 66.02 66.54 2jx3 s SER 62 CO 0.00 -0.60 1.72 0.58 0.41 0.00 0.00 173.24 175.35 2jx3 h VAL 63 N 1.86 0.66 -0.58 3.43 2.07 -2.01 -0.98 116.25 120.70 2jx3 h VAL 63 Ca -0.42 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 2jx3 h VAL 63 Cb 1.25 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2jx3 h VAL 63 CO 0.74 0.07 0.26 0.06 0.02 0.00 0.00 177.57 178.72 2jx3 h GLN 64 N 0.39 0.86 0.00 1.57 3.07 -1.98 -1.85 115.11 117.17 2jx3 h GLN 64 Ca 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.98 2jx3 h GLN 64 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.97 2jx3 h GLN 64 CO -0.39 0.71 0.00 0.98 0.09 0.00 0.00 178.83 180.22 2jx3 n TYR 65 N -4.51 0.00 -0.25 0.06 9.36 -0.38 -0.33 117.16 121.11 2jx3 n TYR 65 Ca 0.03 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.31 2jx3 n TYR 65 Cb 0.14 -0.45 0.18 0.00 -0.63 0.00 0.00 39.34 38.59 2jx3 n TYR 65 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2jx3 h LYS 66 N 0.00 0.37 -0.53 2.98 1.57 -1.57 -1.58 116.57 117.81 2jx3 h LYS 66 Ca 0.00 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2jx3 h LYS 66 Cb 0.00 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.14 2jx3 h LYS 66 CO 0.00 0.24 -0.52 0.87 -0.57 0.00 0.00 179.45 179.47 2jx3 h LYS 67 N 0.38 -0.26 -0.67 3.15 1.79 -0.18 0.17 116.57 120.96 2jx3 h LYS 67 Ca 0.41 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 59.04 2jx3 h LYS 67 Cb 0.66 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.26 2jx3 h LYS 67 CO -0.44 -0.17 0.06 0.87 -1.08 0.00 0.00 179.45 178.69 2jx3 h LYS 68 N -0.27 0.16 -0.98 3.15 6.56 0.33 -0.10 116.57 125.43 2jx3 h LYS 68 Ca 0.09 -0.01 0.28 0.00 -1.06 0.00 0.00 60.65 59.94 2jx3 h LYS 68 Cb 0.50 -0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 31.95 2jx3 h LYS 68 CO -0.64 0.11 0.04 -1.91 -2.06 0.00 0.00 179.45 174.99 2jx3 n GLU 69 N -5.25 -0.08 0.09 3.15 2.13 0.59 0.14 120.64 121.42 2jx3 n GLU 69 Ca 0.11 1.46 -0.04 0.00 0.66 0.00 0.00 57.16 59.35 2jx3 n GLU 69 Cb 0.40 -2.34 -0.02 0.00 0.27 0.00 0.00 31.44 29.75 2jx3 n GLU 69 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jx3 h GLU 70 N 0.00 -0.26 -0.91 5.31 4.81 -0.85 -2.59 114.58 120.09 2jx3 h GLU 70 Ca 0.60 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.99 2jx3 h GLU 70 Cb 1.27 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.61 2jx3 h GLU 70 CO -0.92 -0.18 0.52 0.52 -0.73 0.00 0.00 179.01 178.23 2jx3 h MET 71 N -0.62 0.74 0.00 1.92 2.86 -1.19 0.53 114.93 119.17 2jx3 h MET 71 Ca -0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2jx3 h MET 71 Cb 0.21 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2jx3 h MET 71 CO 0.05 0.49 -0.04 -0.07 1.06 0.00 0.00 176.91 178.39 2jx3 h LEU 72 N 0.76 0.00 0.16 1.22 -0.00 0.11 -1.90 115.31 115.66 2jx3 h LEU 72 Ca 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.36 2jx3 h LEU 72 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2jx3 h LEU 72 CO -0.33 0.04 -0.08 0.50 -0.00 0.00 0.00 178.44 178.58 2jx3 h LYS 73 N 0.00 -0.21 -0.65 1.13 3.64 0.48 2.19 116.57 123.15 2jx3 h LYS 73 Ca -0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.52 2jx3 h LYS 73 Cb 0.11 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 31.85 2jx3 h LYS 73 CO 0.01 -0.14 -0.17 0.87 -2.27 0.00 0.00 179.45 177.74 2jx3 h LYS 74 N -0.31 -0.01 0.00 1.90 1.57 -1.44 1.62 116.57 119.89 2jx3 h LYS 74 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2jx3 h LYS 74 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jx3 h LYS 74 CO 0.04 -0.01 -0.14 0.74 -0.57 0.00 0.00 179.45 179.51 2jx3 h PHE 75 N -0.01 0.00 -0.46 -1.35 -1.00 -1.37 -2.96 116.94 109.79 2jx3 h PHE 75 Ca 0.31 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.18 2jx3 h PHE 75 Cb 0.49 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.95 2jx3 h PHE 75 CO -0.54 0.14 -0.22 0.07 -1.61 0.00 0.00 178.31 176.16 2jx3 h ARG 76 N 0.00 -0.12 -0.04 1.51 0.11 1.58 2.21 114.38 119.64 2jx3 h ARG 76 Ca -0.00 0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2jx3 h ARG 76 Cb 0.51 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 2jx3 h ARG 76 CO 0.02 -0.08 -0.03 -0.91 0.10 0.00 0.00 179.97 179.07 2jx3 h ASN 77 N -0.12 0.09 0.00 0.08 -0.26 -1.38 -2.83 115.58 111.17 2jx3 h ASN 77 Ca 0.22 -0.47 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 2jx3 h ASN 77 Cb 0.46 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 2jx3 h ASN 77 CO -0.53 0.54 0.00 0.00 -1.06 0.00 0.00 177.43 176.38 2jx3 n ALA 78 N -2.35 -0.07 -0.39 -0.83 0.00 -0.65 -2.87 120.51 113.34 2jx3 n ALA 78 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2jx3 n ALA 78 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 2jx3 n ALA 78 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2jx3 h MET 79 N 0.00 -0.03 -0.56 0.00 1.85 0.34 0.27 114.93 116.81 2jx3 h MET 79 Ca 0.00 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.20 2jx3 h MET 79 Cb 0.00 0.01 -0.09 0.00 0.43 0.00 0.00 31.60 31.94 2jx3 h MET 79 CO 0.00 -0.02 -0.00 -0.07 -0.40 0.00 0.00 176.91 176.42 2jx3 h LEU 80 N -0.03 -0.25 -0.91 3.39 3.38 -1.09 0.95 115.31 120.75 2jx3 h LEU 80 Ca 0.19 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.38 2jx3 h LEU 80 Cb 0.46 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 2jx3 h LEU 80 CO -0.92 -0.09 -0.54 1.17 0.09 0.00 0.00 178.44 178.14 2jx3 n LYS 81 N -5.26 -0.40 -0.03 1.13 3.00 0.94 0.15 118.16 117.69 2jx3 n LYS 81 Ca 0.07 1.40 -0.00 0.00 -0.00 0.00 0.00 58.31 59.78 2jx3 n LYS 81 Cb 0.31 -2.06 -0.00 0.00 0.00 0.00 0.00 35.03 33.28 2jx3 n LYS 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2jx3 h SER 82 N 0.00 -0.01 -0.07 3.14 4.64 -1.08 -2.92 113.55 117.25 2jx3 h SER 82 Ca 0.15 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2jx3 h SER 82 Cb 0.37 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 2jx3 h SER 82 CO -0.86 0.30 -0.24 0.40 -0.87 0.00 0.00 176.83 175.57 2jx3 h ILE 83 N -0.63 0.00 -0.94 0.95 5.03 0.10 0.55 117.51 122.58 2jx3 h ILE 83 Ca -0.00 0.00 0.28 0.00 -0.12 0.00 0.00 64.86 65.02 2jx3 h ILE 83 Cb 0.01 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.65 2jx3 h ILE 83 CO 0.00 0.00 0.34 0.00 -0.68 0.00 0.00 178.15 177.81 2jx3 h GLU 85 N 0.21 0.09 0.00 0.00 4.81 -0.55 -1.54 114.58 117.61 2jx3 h GLU 85 Ca 0.64 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.85 2jx3 h GLU 85 Cb 1.38 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 2jx3 h GLU 85 CO -0.68 0.06 -0.39 0.28 -0.73 0.00 0.00 179.01 177.55 2jx3 n VAL 86 N -4.31 0.53 -1.21 0.32 0.31 0.66 -4.82 118.33 109.81 2jx3 n VAL 86 Ca 0.29 -0.70 -0.30 0.00 -0.01 0.00 0.00 64.34 63.63 2jx3 n VAL 86 Cb 1.28 0.32 0.09 0.00 -0.91 0.00 0.00 33.84 34.62 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 -0.38 7.28 -3.58 7.52 7.94 0.67 -3.53 117.00 132.92 2jx3 n LEU 87 Ca 0.05 -3.97 -0.26 0.00 -1.11 0.00 0.00 56.01 50.71 2jx3 n LEU 87 Cb 0.70 -0.95 0.03 0.00 0.53 0.00 0.00 43.42 43.73 2jx3 n LEU 87 CO 0.00 1.34 0.09 -0.67 -1.11 0.00 0.00 177.39 177.03 2jx3 n ASP 88 N -0.78 -5.21 -0.88 1.96 -0.08 -1.26 -4.88 116.55 105.42 2jx3 n ASP 88 Ca 0.57 -0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jx3 n ASP 88 Cb 0.86 -4.17 0.00 0.00 2.34 0.00 0.00 41.12 40.14 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 -4.46 0.00 -2.49 -2.67 4.77 -1.25 -5.09 117.00 105.82 2jx3 n LEU 89 Ca -0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2jx3 n LEU 89 Cb 0.55 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.74 2jx3 n LEU 89 CO 0.64 0.00 0.55 1.21 -1.33 0.00 0.00 177.39 178.46 2jx3 n GLU 90 N 0.00 1.03 0.00 3.23 2.13 -1.26 -4.79 120.64 120.97 2jx3 n GLU 90 Ca 0.00 -1.12 0.00 0.00 0.66 0.00 0.00 57.16 56.70 2jx3 n GLU 90 Cb 0.00 0.23 0.00 0.00 0.27 0.00 0.00 31.44 31.94 2jx3 n GLU 90 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jx3 n ARG 91 N -1.03 0.00 -3.00 5.31 3.00 -1.26 -4.88 116.66 114.80 2jx3 n ARG 91 Ca -0.13 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.71 2jx3 n ARG 91 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.26 2jx3 n ARG 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jx3 n SER 92 N 7.37 -7.07 0.00 0.55 2.88 -1.26 -4.93 113.62 111.16 2jx3 n SER 92 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2jx3 n SER 92 Cb 0.00 -3.06 0.00 0.00 -0.75 0.00 0.00 64.21 60.40 2jx3 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jx3 n GLY 93 N 1.10 0.56 0.00 0.46 0.00 -1.26 -4.95 105.19 101.10 2jx3 n GLY 93 Ca -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2jx3 n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jx3 n VAL 94 N 4.90 0.00 -0.18 1.61 0.24 -1.26 -4.93 118.33 118.70 2jx3 n VAL 94 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2jx3 n VAL 94 Cb 0.00 -0.33 0.21 0.00 -1.47 0.00 0.00 33.84 32.25 2jx3 n VAL 94 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jx3 h ASN 95 N 0.00 0.84 -0.09 -1.34 -1.07 -2.01 -2.06 115.58 109.85 2jx3 h ASN 95 Ca 0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 56.30 56.24 2jx3 h ASN 95 Cb 0.00 -0.21 -0.00 0.00 -2.07 0.00 0.00 38.32 36.04 2jx3 h ASN 95 CO 0.00 0.71 -0.13 -1.28 0.07 0.00 0.00 177.43 176.80 2jx3 h SER 96 N 0.93 0.28 -0.08 6.14 0.87 -2.00 -2.79 113.55 116.89 2jx3 h SER 96 Ca 0.23 -0.52 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2jx3 h SER 96 Cb 0.09 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2jx3 h SER 96 CO -0.03 0.74 0.06 -0.08 -0.53 0.00 0.00 176.83 177.00 2jx3 h GLU 97 N -0.19 0.00 0.33 2.24 4.81 -1.89 -1.88 114.58 118.01 2jx3 h GLU 97 Ca 0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2jx3 h GLU 97 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2jx3 h GLU 97 CO 0.03 0.00 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.08 2jx3 h LEU 98 N 0.00 -0.38 -0.22 1.64 3.38 -1.24 -2.36 115.31 116.13 2jx3 h LEU 98 Ca 0.04 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2jx3 h LEU 98 Cb 0.17 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 2jx3 h LEU 98 CO -0.00 -0.09 -0.51 0.58 0.09 0.00 0.00 178.44 178.51 2jx3 h VAL 99 N -0.80 0.04 -1.21 1.22 2.07 -1.36 0.48 116.25 116.69 2jx3 h VAL 99 Ca -0.05 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.83 2jx3 h VAL 99 Cb 0.34 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.05 2jx3 h VAL 99 CO 0.07 0.00 0.80 0.50 0.02 0.00 0.00 177.57 178.96 2jx3 h LYS 100 N -0.50 0.19 -0.47 1.57 3.64 -1.45 0.88 116.57 120.44 2jx3 h LYS 100 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jx3 h LYS 100 Cb 0.65 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2jx3 h LYS 100 CO -0.48 0.13 0.28 -0.09 -2.27 0.00 0.00 179.45 177.01 2jx3 h ARG 101 N 0.20 0.63 -0.01 1.90 2.43 0.52 -1.58 114.38 118.48 2jx3 h ARG 101 Ca 0.69 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.66 2jx3 h ARG 101 Cb 2.13 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 31.53 2jx3 h ARG 101 CO -0.29 0.45 -0.72 -0.84 -1.51 0.00 0.00 179.97 177.06 2jx3 h ILE 102 N 0.64 1.49 0.00 1.20 -0.00 0.10 0.64 117.51 121.59 2jx3 h ILE 102 Ca 0.17 -2.38 -0.05 0.00 -0.00 0.00 0.00 64.86 62.59 2jx3 h ILE 102 Cb -0.02 2.28 -0.01 0.00 -0.00 0.00 0.00 36.82 39.08 2jx3 h ILE 102 CO -0.03 0.69 -0.25 -0.07 -0.00 0.00 0.00 178.15 178.49 2jx3 h LEU 103 N 0.04 0.00 0.00 0.16 -0.00 -1.02 1.24 115.31 115.73 2jx3 h LEU 103 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 2jx3 h LEU 103 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2jx3 h LEU 103 CO 0.10 0.25 -1.89 0.59 -0.00 0.00 0.00 178.44 177.49 2jx3 n ASN 104 N -3.50 0.97 -0.02 -0.43 3.02 -0.88 -4.11 115.26 110.31 2jx3 n ASN 104 Ca -0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.51 2jx3 n ASN 104 Cb 0.41 1.58 -0.01 0.00 -0.61 0.00 0.00 39.78 41.14 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 -2.24 0.00 0.28 3.10 7.35 0.22 -3.65 117.46 122.52 2jx3 n PHE 105 Ca -0.09 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.73 2jx3 n PHE 105 Cb 0.61 -0.17 0.83 0.00 0.35 0.00 0.00 39.48 41.09 2jx3 n PHE 105 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2jx3 h LEU 106 N -0.34 0.00 0.00 -2.13 -0.00 -0.95 -0.06 115.31 111.83 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 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2jx3 h LEU 106 CO 0.00 0.05 -0.91 0.24 -0.00 0.00 0.00 178.44 177.81 2jx3 h MET 107 N 0.00 0.00 -0.32 1.13 2.86 0.13 -3.40 114.93 115.33 2jx3 h MET 107 Ca -0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 2jx3 h MET 107 Cb 0.12 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.59 2jx3 h MET 107 CO 0.01 0.12 -0.10 -1.58 1.06 0.00 0.00 176.91 176.41 2jx3 s HIS 108 N -3.19 -0.58 0.00 -0.22 2.46 -0.17 -3.74 115.29 109.85 2jx3 s HIS 108 Ca 0.00 0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.75 2jx3 s HIS 108 Cb 0.08 0.10 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2jx3 s HIS 108 CO 0.77 -0.36 0.00 -0.35 -2.47 0.00 0.00 174.74 172.33 2jx3 n PRO 109 N 4.44 0.00 -0.61 2.88 -0.04 -0.41 -3.97 135.00 137.29 2jx3 n PRO 109 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2jx3 n PRO 109 Cb 0.60 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2jx3 n PRO 109 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09