#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2js3 s GLY 2 N 0.00 2.66 0.18 -5.12 0.00 -1.26 -5.06 107.32 98.72 2js3 s GLY 2 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 44.72 45.45 2js3 s GLY 2 CO 0.00 1.07 0.11 -0.56 0.00 0.00 0.00 173.10 173.71 2js3 s SER 3 N -1.70 5.33 -0.05 1.64 0.01 -1.26 -5.12 113.70 112.55 2js3 s SER 3 Ca 0.61 -0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.65 2js3 s SER 3 Cb -0.20 -1.33 0.03 0.00 0.21 0.00 0.00 66.02 64.73 2js3 s SER 3 CO 0.25 0.06 -0.01 -0.55 0.41 0.00 0.00 173.24 173.40 2js3 s SER 4 N -3.17 0.93 0.01 2.44 0.15 -1.26 -5.00 113.70 107.80 2js3 s SER 4 Ca 0.30 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2js3 s SER 4 Cb -0.10 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2js3 s SER 4 CO 0.22 -0.13 0.00 1.57 1.20 0.00 0.00 173.24 176.11 2js3 n HIS 5 N 4.48 -0.03 -2.67 3.44 -0.00 -1.26 -5.13 115.22 114.05 2js3 n HIS 5 Ca -0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.49 2js3 n HIS 5 Cb 0.50 0.06 -0.04 0.00 -0.00 0.00 0.00 29.99 30.51 2js3 n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2js3 n HIS 6 N -2.99 -4.00 -3.74 1.57 -0.00 -1.26 -4.98 115.22 99.82 2js3 n HIS 6 Ca 0.00 2.27 -0.34 0.00 -0.00 0.00 0.00 57.72 59.65 2js3 n HIS 6 Cb 0.40 -3.64 -0.09 0.00 -0.00 0.00 0.00 29.99 26.67 2js3 n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2js3 s HIS 7 N -0.71 3.64 -0.13 4.41 0.00 -1.26 -4.75 115.29 116.50 2js3 s HIS 7 Ca -0.23 -3.02 0.03 0.00 -3.00 0.00 0.00 55.06 48.83 2js3 s HIS 7 Cb 0.02 -3.09 0.10 0.00 -4.00 0.00 0.00 32.58 25.61 2js3 s HIS 7 CO 0.72 -0.72 0.83 1.58 -1.00 0.00 0.00 174.74 176.14 2js3 n HIS 8 N 2.61 -0.54 -1.30 0.38 -0.00 -1.26 -5.17 115.22 109.94 2js3 n HIS 8 Ca 0.16 -0.52 -0.30 0.00 -0.00 0.00 0.00 57.72 57.07 2js3 n HIS 8 Cb 0.36 0.89 0.21 0.00 -0.00 0.00 0.00 29.99 31.46 2js3 n HIS 8 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2js3 s HIS 9 N 0.04 1.12 0.09 1.57 0.00 -1.26 -5.09 115.29 111.75 2js3 s HIS 9 Ca 0.03 0.56 -0.03 0.00 -3.00 0.00 0.00 55.06 52.61 2js3 s HIS 9 Cb 0.11 -3.55 -0.03 0.00 -4.00 0.00 0.00 32.58 25.11 2js3 s HIS 9 CO -0.03 -3.37 0.07 -1.58 -1.00 0.00 0.00 174.74 168.83 2js3 s HIS 10 N -3.20 0.51 0.74 0.38 5.04 -1.26 -5.16 115.29 112.34 2js3 s HIS 10 Ca 0.70 -0.97 -0.11 0.00 -1.54 0.00 0.00 55.06 53.14 2js3 s HIS 10 Cb -0.10 -0.31 0.04 0.00 0.04 0.00 0.00 32.58 32.25 2js3 s HIS 10 CO 0.55 -0.48 1.08 -1.54 -2.34 0.00 0.00 174.74 172.01 2js3 s SER 11 N -2.94 4.86 0.31 9.88 1.04 -1.26 -5.06 113.70 120.53 2js3 s SER 11 Ca 0.11 1.75 -0.01 0.00 0.48 0.00 0.00 55.95 58.28 2js3 s SER 11 Cb 0.07 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 2js3 s SER 11 CO -0.07 -1.80 0.52 -0.55 0.98 0.00 0.00 173.24 172.33 2js3 s SER 12 N -3.52 6.35 0.00 7.02 0.15 -1.26 -5.09 113.70 117.35 2js3 s SER 12 Ca 0.60 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2js3 s SER 12 Cb -0.16 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2js3 s SER 12 CO 0.55 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2js3 n GLY 13 N -1.38 0.34 3.31 9.45 0.00 -1.26 -5.16 105.19 110.50 2js3 n GLY 13 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.18 2js3 n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2js3 s ARG 14 N -2.00 0.45 0.32 1.61 3.52 -1.26 -5.18 118.95 116.41 2js3 s ARG 14 Ca 0.00 0.94 0.03 0.00 -0.13 0.00 0.00 55.73 56.57 2js3 s ARG 14 Cb 0.00 0.54 -0.05 0.00 -1.56 0.00 0.00 34.95 33.89 2js3 s ARG 14 CO 0.00 -0.35 0.10 -1.21 -0.81 0.00 0.00 175.30 173.03 2js3 s GLU 15 N 2.81 1.62 0.86 5.12 0.41 -1.26 -5.15 118.70 123.12 2js3 s GLU 15 Ca 0.06 -1.91 -0.10 0.00 -0.41 0.00 0.00 54.97 52.60 2js3 s GLU 15 Cb -0.12 -0.52 0.11 0.00 -1.78 0.00 0.00 34.13 31.82 2js3 s GLU 15 CO -0.18 -0.31 1.11 1.21 -0.49 0.00 0.00 175.26 176.60 2js3 s ASN 16 N -3.44 3.56 -0.81 -0.19 2.47 -1.26 -4.81 114.94 110.46 2js3 s ASN 16 Ca 0.34 1.95 -0.27 0.00 0.42 0.00 0.00 52.86 55.30 2js3 s ASN 16 Cb 0.07 -2.50 -0.17 0.00 -1.45 0.00 0.00 41.25 37.19 2js3 s ASN 16 CO 0.15 -2.66 2.54 0.18 -3.72 0.00 0.00 177.10 173.60 2js3 n LEU 17 N -3.93 0.95 -1.99 3.21 4.77 -1.26 -4.73 117.00 114.01 2js3 n LEU 17 Ca 0.10 -0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 2js3 n LEU 17 Cb 0.53 -1.17 0.32 0.00 -2.33 0.00 0.00 43.42 40.77 2js3 n LEU 17 CO 0.52 -1.19 1.01 0.00 -1.33 0.00 0.00 177.39 176.40 2js3 n TYR 18 N 12.50 2.40 1.07 -1.77 4.11 -1.26 -4.53 117.16 129.67 2js3 n TYR 18 Ca 0.55 -1.11 0.00 0.00 -0.00 0.00 0.00 57.90 57.34 2js3 n TYR 18 Cb 0.24 -0.66 0.00 0.00 -0.00 0.00 0.00 39.34 38.92 2js3 n TYR 18 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 2js3 n PHE 19 N -0.01 0.00 -0.04 -3.48 3.01 -1.26 -3.64 117.46 112.04 2js3 n PHE 19 Ca 0.39 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.71 2js3 n PHE 19 Cb 1.36 -0.09 -0.09 0.00 -0.01 0.00 0.00 39.48 40.65 2js3 n PHE 19 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2js3 h GLN 20 N 0.01 0.27 -3.20 -1.08 4.15 -1.99 -3.46 115.11 109.81 2js3 h GLN 20 Ca 0.00 -0.18 -0.15 0.00 0.77 0.00 0.00 58.65 59.09 2js3 h GLN 20 Cb 0.46 0.02 -0.23 0.00 0.21 0.00 0.00 27.48 27.94 2js3 h GLN 20 CO 0.00 0.78 -0.41 0.20 -1.93 0.00 0.00 178.83 177.47 2js3 s GLY 21 N -3.56 -0.12 0.51 2.39 0.00 -1.24 -5.17 107.32 100.12 2js3 s GLY 21 Ca -0.15 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2js3 s GLY 21 CO 0.75 0.29 0.09 1.03 0.00 0.00 0.00 173.10 175.25 2js3 n MET 22 N 2.22 0.77 -0.85 2.90 2.81 -1.26 -5.03 117.12 118.67 2js3 n MET 22 Ca -0.17 -3.58 0.00 0.00 -1.81 0.00 0.00 57.70 52.14 2js3 n MET 22 Cb 0.57 0.84 0.00 0.00 -0.71 0.00 0.00 33.22 33.92 2js3 n MET 22 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2js3 n THR 23 N -1.36 0.00 -0.14 2.03 5.66 -1.26 -5.04 114.28 114.18 2js3 n THR 23 Ca -0.17 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.74 2js3 n THR 23 Cb 0.63 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.34 2js3 n THR 23 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2js3 h ASP 24 N 0.00 -1.29 0.88 1.09 3.58 -2.01 -2.17 116.42 116.50 2js3 h ASP 24 Ca 0.00 0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 2js3 h ASP 24 Cb 0.00 0.54 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2js3 h ASP 24 CO 0.00 -0.24 -0.16 0.74 -2.88 0.00 0.00 179.24 176.69 2js3 h THR 25 N -0.21 0.43 -0.55 2.25 2.02 -2.01 -2.76 112.91 112.09 2js3 h THR 25 Ca 0.06 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 2js3 h THR 25 Cb 0.37 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2js3 h THR 25 CO -0.45 0.16 0.13 0.00 0.37 0.00 0.00 175.52 175.73 2js3 h ALA 26 N 1.84 0.73 0.00 6.16 0.00 -1.80 -2.54 119.26 123.64 2js3 h ALA 26 Ca -0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2js3 h ALA 26 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2js3 h ALA 26 CO 0.02 0.43 -0.33 0.00 0.00 0.00 0.00 179.25 179.37 2js3 h ALA 27 N 1.02 1.31 0.09 0.00 0.00 -1.24 -2.79 119.26 117.65 2js3 h ALA 27 Ca 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2js3 h ALA 27 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2js3 h ALA 27 CO 0.00 0.41 -0.04 1.49 0.00 0.00 0.00 179.25 181.11 2js3 h GLU 28 N 0.00 -0.12 -0.29 0.00 4.22 -1.44 0.22 114.58 117.16 2js3 h GLU 28 Ca -0.00 0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 2js3 h GLU 28 Cb 0.64 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2js3 h GLU 28 CO 0.04 0.15 -0.24 -0.44 -2.18 0.00 0.00 179.01 176.35 2js3 h ASP 29 N -0.39 0.57 -0.29 1.04 3.32 -1.47 0.11 116.42 119.31 2js3 h ASP 29 Ca -0.01 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 2js3 h ASP 29 Cb 0.33 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2js3 h ASP 29 CO 0.02 0.80 0.07 0.58 -1.72 0.00 0.00 179.24 178.99 2js3 h VAL 30 N 0.50 1.21 -0.71 -1.35 2.07 -1.43 -0.73 116.25 115.81 2js3 h VAL 30 Ca 0.07 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2js3 h VAL 30 Cb 0.68 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2js3 h VAL 30 CO 0.05 0.23 0.47 -0.09 0.02 0.00 0.00 177.57 178.25 2js3 h ARG 31 N 0.30 0.91 0.49 1.57 1.12 -0.62 0.02 114.38 118.16 2js3 h ARG 31 Ca 0.09 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 2js3 h ARG 31 Cb 0.28 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2js3 h ARG 31 CO 0.00 0.61 -0.23 -0.22 -3.11 0.00 0.00 179.97 177.01 2js3 h LYS 32 N 0.94 -0.63 -0.22 0.20 3.64 -0.33 -2.35 116.57 117.83 2js3 h LYS 32 Ca 0.26 0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.56 2js3 h LYS 32 Cb -0.08 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2js3 h LYS 32 CO -0.06 -0.36 -0.39 -0.84 -2.27 0.00 0.00 179.45 175.52 2js3 h ILE 33 N -0.77 1.30 -0.90 2.00 3.07 -0.97 -2.60 117.51 118.64 2js3 h ILE 33 Ca -0.07 -1.53 -0.01 0.00 1.55 0.00 0.00 64.86 64.80 2js3 h ILE 33 Cb 0.55 1.56 -0.04 0.00 -0.27 0.00 0.00 36.82 38.62 2js3 h ILE 33 CO 0.11 0.48 0.52 0.00 -1.05 0.00 0.00 178.15 178.20 2js3 h ALA 34 N 1.17 1.15 -0.27 0.16 0.00 -0.98 -0.03 119.26 120.45 2js3 h ALA 34 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2js3 h ALA 34 Cb 0.86 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2js3 h ALA 34 CO 0.07 0.63 -0.37 1.15 0.00 0.00 0.00 179.25 180.73 2js3 h THR 35 N 1.24 1.29 0.05 0.00 2.02 -1.26 -2.16 112.91 114.09 2js3 h THR 35 Ca 0.32 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 2js3 h THR 35 Cb -0.01 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2js3 h THR 35 CO -0.06 0.48 -0.02 0.00 0.37 0.00 0.00 175.52 176.30 2js3 h ALA 36 N 1.08 -0.07 -0.20 6.16 0.00 -1.00 -1.75 119.26 123.49 2js3 h ALA 36 Ca 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2js3 h ALA 36 Cb 0.87 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2js3 h ALA 36 CO 0.08 -0.33 -0.12 1.37 0.00 0.00 0.00 179.25 180.24 2js3 h LEU 37 N -0.47 0.31 -0.07 0.00 8.10 -1.06 -2.20 115.31 119.91 2js3 h LEU 37 Ca -0.01 -0.07 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 2js3 h LEU 37 Cb 0.43 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2js3 h LEU 37 CO 0.01 0.47 0.00 0.25 -4.11 0.00 0.00 178.44 175.06 2js3 h LEU 38 N 0.31 0.12 -1.29 0.17 5.85 -1.32 -0.61 115.31 118.55 2js3 h LEU 38 Ca 0.06 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2js3 h LEU 38 Cb 0.41 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2js3 h LEU 38 CO 0.02 0.40 0.00 0.50 -0.34 0.00 0.00 178.44 179.02 2js3 h LYS 39 N -0.15 0.00 0.00 1.25 1.63 -1.04 0.75 116.57 119.01 2js3 h LYS 39 Ca 0.02 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.50 2js3 h LYS 39 Cb 0.33 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 2js3 h LYS 39 CO 0.00 0.00 -2.12 2.41 -3.45 0.00 0.00 179.45 176.30 2js3 n THR 40 N -2.76 1.38 0.25 1.00 -1.04 -0.85 -4.17 114.28 108.09 2js3 n THR 40 Ca 0.01 -0.82 0.12 0.00 -2.04 0.00 0.00 64.05 61.32 2js3 n THR 40 Cb 0.26 -0.63 0.07 0.00 -1.82 0.00 0.00 70.33 68.21 2js3 n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2js3 h ALA 41 N 1.07 0.59 -3.36 2.41 0.00 -0.90 -3.42 119.26 115.66 2js3 h ALA 41 Ca -0.43 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 2js3 h ALA 41 Cb 2.09 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 19.51 2js3 h ALA 41 CO 0.04 0.00 -0.62 0.42 0.00 0.00 0.00 179.25 179.10 2js3 s ILE 42 N -3.29 2.89 0.02 0.00 -1.09 0.24 -2.01 121.20 117.96 2js3 s ILE 42 Ca 0.02 -2.16 -0.05 0.00 -2.23 0.00 0.00 60.65 56.23 2js3 s ILE 42 Cb 0.10 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 37.94 2js3 s ILE 42 CO 0.75 -0.65 0.09 -0.70 -1.23 0.00 0.00 174.94 173.21 2js3 s GLU 43 N 1.05 0.50 -0.23 2.79 2.56 -1.26 -4.62 118.70 119.49 2js3 s GLU 43 Ca 0.09 -0.59 -0.22 0.00 0.00 0.00 0.00 54.97 54.26 2js3 s GLU 43 Cb -0.21 0.20 -0.02 0.00 2.00 0.00 0.00 34.13 36.10 2js3 s GLU 43 CO -0.06 -0.12 0.70 0.96 -0.56 0.00 0.00 175.26 176.18 2js3 s ILE 44 N -1.92 4.95 0.18 -3.70 -4.36 -1.26 -3.48 121.20 111.61 2js3 s ILE 44 Ca -0.11 1.30 -0.22 0.00 -0.26 0.00 0.00 60.65 61.36 2js3 s ILE 44 Cb -0.05 -4.00 -0.08 0.00 1.25 0.00 0.00 42.46 39.58 2js3 s ILE 44 CO -0.01 0.03 0.73 0.68 0.24 0.00 0.00 174.94 176.60 2js3 s VAL 45 N 2.38 4.51 -0.01 8.37 -7.23 0.75 -4.78 120.40 124.40 2js3 s VAL 45 Ca 0.30 1.45 -0.25 0.00 -1.81 0.00 0.00 61.98 61.66 2js3 s VAL 45 Cb -0.16 -3.98 -0.04 0.00 0.56 0.00 0.00 36.38 32.76 2js3 s VAL 45 CO 0.09 0.38 0.78 -0.94 -0.31 0.00 0.00 175.10 175.11 2js3 s SER 46 N -1.37 7.16 -0.17 4.85 1.04 -1.26 -1.11 113.70 122.83 2js3 s SER 46 Ca 0.38 1.39 -0.11 0.00 0.48 0.00 0.00 55.95 58.10 2js3 s SER 46 Cb -0.20 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 2js3 s SER 46 CO 0.23 -0.09 0.19 -1.61 0.98 0.00 0.00 173.24 172.94 2js3 s GLU 47 N 0.49 4.07 0.54 4.02 0.41 0.16 -4.95 118.70 123.43 2js3 s GLU 47 Ca 0.41 -0.08 0.35 0.00 -0.41 0.00 0.00 54.97 55.24 2js3 s GLU 47 Cb -0.20 -3.37 1.64 0.00 -1.78 0.00 0.00 34.13 30.42 2js3 s GLU 47 CO 0.22 0.38 2.05 0.93 -0.49 0.00 0.00 175.26 178.36 2js3 h GLU 48 N 6.29 0.00 -0.53 1.61 5.08 -1.97 -0.51 114.58 124.55 2js3 h GLU 48 Ca -0.44 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2js3 h GLU 48 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2js3 h GLU 48 CO 0.72 0.00 0.38 0.22 -1.00 0.00 0.00 179.01 179.33 2js3 h ASP 49 N 0.00 0.08 0.00 1.42 1.82 -2.03 -3.45 116.42 114.25 2js3 h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2js3 h ASP 49 Cb 0.31 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2js3 h ASP 49 CO 0.00 0.04 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 2js3 n GLY 50 N -1.61 1.44 0.00 -0.78 0.00 -0.22 -5.13 105.19 98.89 2js3 n GLY 50 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2js3 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2js3 n GLY 51 N -0.13 3.96 3.48 -0.02 0.00 -1.10 -5.01 105.19 106.37 2js3 n GLY 51 Ca 0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 2js3 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2js3 s ALA 52 N -1.37 -1.61 -0.05 4.61 0.00 -1.26 -0.66 121.76 121.42 2js3 s ALA 52 Ca 0.00 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.23 2js3 s ALA 52 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 2js3 s ALA 52 CO 0.00 -0.35 -0.19 -1.01 0.00 0.00 0.00 175.76 174.21 2js3 s HIS 53 N -1.06 1.90 -0.51 0.00 3.76 -0.27 -4.53 115.29 114.58 2js3 s HIS 53 Ca -0.10 -0.58 -0.21 0.00 -0.15 0.00 0.00 55.06 54.01 2js3 s HIS 53 Cb -0.01 -1.28 0.05 0.00 1.11 0.00 0.00 32.58 32.45 2js3 s HIS 53 CO 0.08 -0.20 0.75 1.21 -0.85 0.00 0.00 174.74 175.72 2js3 s ASN 54 N 0.07 6.29 -0.16 1.40 3.84 -1.07 -0.17 114.94 125.14 2js3 s ASN 54 Ca -0.06 -0.59 0.01 0.00 0.21 0.00 0.00 52.86 52.42 2js3 s ASN 54 Cb -0.13 -2.35 0.02 0.00 -0.55 0.00 0.00 41.25 38.24 2js3 s ASN 54 CO 0.03 -0.99 -0.16 -1.58 -2.79 0.00 0.00 177.10 171.61 2js3 s GLN 55 N 3.15 2.53 -0.11 0.43 0.74 -1.23 0.08 119.66 125.24 2js3 s GLN 55 Ca 0.22 -0.67 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 2js3 s GLN 55 Cb -0.16 -2.28 -0.03 0.00 1.10 0.00 0.00 33.01 31.63 2js3 s GLN 55 CO 0.16 -0.24 1.47 0.00 -0.55 0.00 0.00 175.29 176.13 2js3 n LYS 57 N 6.91 0.88 -0.00 0.00 5.02 -0.85 -0.89 118.16 129.23 2js3 n LYS 57 Ca 0.16 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.52 2js3 n LYS 57 Cb 0.44 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 34.08 2js3 n LYS 57 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2js3 n LEU 58 N -0.78 0.65 0.00 -0.35 7.94 -1.26 -4.75 117.00 118.46 2js3 n LEU 58 Ca 0.12 -0.47 0.00 0.00 -1.11 0.00 0.00 56.01 54.55 2js3 n LEU 58 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2js3 n LEU 58 CO 0.09 0.16 0.00 0.00 -1.11 0.00 0.00 177.39 176.53 2js3 n GLY 60 N 0.35 0.63 3.79 0.00 0.00 -0.06 -5.07 105.19 104.82 2js3 n GLY 60 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2js3 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2js3 s ALA 61 N -2.00 3.05 0.08 4.61 0.00 -1.26 -4.78 121.76 121.46 2js3 s ALA 61 Ca 0.00 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.63 2js3 s ALA 61 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2js3 s ALA 61 CO 0.00 -0.11 -0.13 -1.12 0.00 0.00 0.00 175.76 174.40 2js3 s SER 62 N -1.77 4.17 0.05 0.00 0.01 -1.26 -1.47 113.70 113.43 2js3 s SER 62 Ca 0.59 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.47 2js3 s SER 62 Cb -0.18 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 2js3 s SER 62 CO 0.23 0.21 -0.05 0.54 0.41 0.00 0.00 173.24 174.58 2js3 s VAL 63 N -1.09 0.40 -0.09 3.43 0.11 0.11 -4.99 120.40 118.28 2js3 s VAL 63 Ca 0.18 -1.37 -0.38 0.00 -2.93 0.00 0.00 61.98 57.48 2js3 s VAL 63 Cb -0.11 -0.94 -0.19 0.00 -1.53 0.00 0.00 36.38 33.62 2js3 s VAL 63 CO 0.10 -0.64 1.09 -2.65 -3.33 0.00 0.00 175.10 169.66 2js3 n PRO 64 N 0.90 0.00 -0.95 1.54 -0.02 -1.26 -2.58 135.00 132.62 2js3 n PRO 64 Ca -0.19 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 60.99 2js3 n PRO 64 Cb 0.57 -1.39 0.16 0.00 -0.02 0.00 0.00 33.50 32.82 2js3 n PRO 64 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2js3 s TRP 65 N 0.54 1.98 0.00 6.00 -2.14 -1.26 -3.54 118.94 120.53 2js3 s TRP 65 Ca 0.87 1.42 0.00 0.00 2.66 0.00 0.00 56.10 61.05 2js3 s TRP 65 Cb -1.22 -3.18 0.00 0.00 -3.10 0.00 0.00 33.47 25.97 2js3 s TRP 65 CO 0.57 -2.71 0.00 -0.11 -2.66 0.00 0.00 176.95 172.04 2js3 n LEU 66 N -4.13 0.00 -4.84 -4.66 -0.00 -1.26 -4.94 117.00 97.17 2js3 n LEU 66 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.79 2js3 n LEU 66 Cb 0.54 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.11 2js3 n LEU 66 CO 0.54 0.00 0.78 -1.58 -0.00 0.00 0.00 177.39 177.13 2js3 s GLN 67 N 0.00 0.90 0.41 1.96 0.74 -1.23 -4.95 119.66 117.49 2js3 s GLN 67 Ca 0.00 -0.04 0.29 0.00 0.05 0.00 0.00 55.36 55.65 2js3 s GLN 67 Cb 0.00 -1.84 1.09 0.00 1.10 0.00 0.00 33.01 33.35 2js3 s GLN 67 CO 0.00 -2.30 1.84 0.00 -0.55 0.00 0.00 175.29 174.28 2js3 h THR 68 N -1.56 0.00 -4.83 -0.34 1.03 -1.92 -3.48 112.91 101.81 2js3 h THR 68 Ca -0.47 -0.46 -0.05 0.00 -0.01 0.00 0.00 66.41 65.42 2js3 h THR 68 Cb 1.29 1.37 0.04 0.00 -1.07 0.00 0.00 68.15 69.79 2js3 h THR 68 CO 0.51 0.00 -0.18 0.61 -0.01 0.00 0.00 175.52 176.46 2js3 n GLY 69 N 0.24 -0.93 0.00 2.99 0.00 -1.26 -4.97 105.19 101.27 2js3 n GLY 69 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2js3 n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2js3 n ASP 70 N -1.93 0.03 -1.10 1.61 2.03 -1.26 -4.64 116.55 111.29 2js3 n ASP 70 Ca -0.01 -0.45 0.07 0.00 0.52 0.00 0.00 54.79 54.92 2js3 n ASP 70 Cb 0.52 0.90 0.24 0.00 -0.72 0.00 0.00 41.12 42.07 2js3 n ASP 70 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2js3 n GLU 71 N -0.90 2.65 -2.35 -0.67 4.71 -1.26 -4.93 120.64 117.89 2js3 n GLU 71 Ca 0.00 -1.95 -0.42 0.00 -0.01 0.00 0.00 57.16 54.78 2js3 n GLU 71 Cb 0.00 -1.59 -0.03 0.00 -1.01 0.00 0.00 31.44 28.81 2js3 n GLU 71 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2js3 s ILE 72 N -1.59 3.84 -0.54 -3.67 -1.09 -1.26 -4.95 121.20 111.93 2js3 s ILE 72 Ca 0.35 1.31 -0.27 0.00 -2.23 0.00 0.00 60.65 59.82 2js3 s ILE 72 Cb 0.21 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2js3 s ILE 72 CO 0.20 0.10 1.87 -0.54 -1.23 0.00 0.00 174.94 175.34 2js3 s LYS 73 N 1.13 2.76 0.27 2.79 -0.14 -1.26 -4.94 119.74 120.35 2js3 s LYS 73 Ca 0.60 0.84 0.07 0.00 -1.36 0.00 0.00 55.97 56.12 2js3 s LYS 73 Cb -0.31 -4.35 -0.03 0.00 -1.68 0.00 0.00 37.83 31.45 2js3 s LYS 73 CO 0.29 -2.56 0.23 -3.38 -0.76 0.00 0.00 175.35 169.16 2js3 s HIS 74 N 8.76 3.07 0.58 3.18 -3.43 -1.26 -4.94 115.29 121.24 2js3 s HIS 74 Ca 0.72 -0.15 -0.18 0.00 -0.80 0.00 0.00 55.06 54.64 2js3 s HIS 74 Cb -0.15 -1.50 -0.04 0.00 -1.43 0.00 0.00 32.58 29.45 2js3 s HIS 74 CO 0.24 0.43 1.11 0.00 -2.00 0.00 0.00 174.74 174.53 2js3 s ALA 75 N -2.17 2.64 0.18 -1.38 0.00 -1.26 -4.96 121.76 114.82 2js3 s ALA 75 Ca 0.35 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 2js3 s ALA 75 Cb -0.07 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.81 2js3 s ALA 75 CO 0.25 -0.89 1.81 0.22 0.00 0.00 0.00 175.76 177.15 2js3 h ASP 76 N 0.84 0.79 -0.51 0.00 3.58 -2.03 -2.75 116.42 116.33 2js3 h ASP 76 Ca -0.49 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2js3 h ASP 76 Cb 1.25 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2js3 h ASP 76 CO 0.56 0.65 0.00 -0.67 -2.88 0.00 0.00 179.24 176.90 2js3 n ASP 77 N -4.56 4.39 -4.67 2.28 2.03 -1.26 -4.98 116.55 109.78 2js3 n ASP 77 Ca 0.05 -2.55 -0.48 0.00 0.52 0.00 0.00 54.79 52.33 2js3 n ASP 77 Cb 0.08 -0.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.91 2js3 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2js3 h PRO 79 N 7.59 0.16 -1.00 0.00 0.11 -1.94 -0.61 132.00 136.32 2js3 h PRO 79 Ca -0.47 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2js3 h PRO 79 Cb 1.27 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2js3 h PRO 79 CO 0.92 0.10 0.66 0.28 -0.21 0.00 0.00 178.00 179.75 2js3 h VAL 80 N 0.16 1.24 -0.45 3.15 2.07 -1.97 0.35 116.25 120.81 2js3 h VAL 80 Ca 0.30 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2js3 h VAL 80 Cb 0.96 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2js3 h VAL 80 CO -0.05 0.24 -0.17 0.58 0.02 0.00 0.00 177.57 178.20 2js3 h VAL 81 N 1.34 1.27 -0.08 2.57 2.07 -1.47 -1.91 116.25 120.04 2js3 h VAL 81 Ca 0.37 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2js3 h VAL 81 Cb -0.12 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2js3 h VAL 81 CO -0.09 0.45 -0.03 0.40 0.02 0.00 0.00 177.57 178.32 2js3 h ILE 82 N 0.74 1.31 -0.20 4.57 1.08 -1.23 -2.80 117.51 120.98 2js3 h ILE 82 Ca 0.11 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.60 2js3 h ILE 82 Cb 0.73 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 2js3 h ILE 82 CO 0.06 0.28 0.06 0.00 -0.69 0.00 0.00 178.15 177.86 2js3 h ALA 83 N 0.65 0.22 -0.88 1.87 0.00 -0.27 -0.67 119.26 120.18 2js3 h ALA 83 Ca 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2js3 h ALA 83 Cb 0.46 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2js3 h ALA 83 CO 0.01 -0.36 0.45 0.87 0.00 0.00 0.00 179.25 180.21 2js3 h LYS 84 N 0.15 1.25 -0.39 0.00 1.57 -1.41 -1.01 116.57 116.73 2js3 h LYS 84 Ca 0.09 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2js3 h LYS 84 Cb 0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2js3 h LYS 84 CO -0.10 0.94 0.21 1.96 -0.57 0.00 0.00 179.45 181.88 2js3 h GLN 85 N 1.24 0.56 -0.29 3.15 4.20 -1.17 -2.48 115.11 120.32 2js3 h GLN 85 Ca 0.30 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2js3 h GLN 85 Cb 0.08 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2js3 h GLN 85 CO -0.04 0.47 0.11 0.82 -0.67 0.00 0.00 178.83 179.51 2js3 h ILE 86 N 0.50 1.18 0.00 2.54 2.04 -0.64 -0.77 117.51 122.36 2js3 h ILE 86 Ca 0.14 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2js3 h ILE 86 Cb 0.08 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2js3 h ILE 86 CO -0.02 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.32 2js3 n LEU 87 N -4.74 0.66 -0.02 1.44 -0.00 -0.43 -1.90 117.00 112.02 2js3 n LEU 87 Ca -0.02 0.64 -0.07 0.00 -0.00 0.00 0.00 56.01 56.55 2js3 n LEU 87 Cb 0.14 -0.52 -0.13 0.00 -0.00 0.00 0.00 43.42 42.91 2js3 n LEU 87 CO 0.36 -0.46 -0.51 -1.20 -0.00 0.00 0.00 177.39 175.58 2js3 n SER 88 N -2.21 0.84 -1.46 1.45 7.64 -0.94 -5.09 113.62 113.86 2js3 n SER 88 Ca 0.03 0.40 0.18 0.00 1.01 0.00 0.00 58.87 60.49 2js3 n SER 88 Cb 0.27 0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 2js3 n SER 88 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2js3 n SER 89 N -3.01 -8.27 -3.03 6.43 3.41 -0.33 -4.98 113.62 103.85 2js3 n SER 89 Ca -0.16 1.28 -0.15 0.00 -0.26 0.00 0.00 58.87 59.58 2js3 n SER 89 Cb 1.02 -4.91 0.02 0.00 -0.26 0.00 0.00 64.21 60.08 2js3 n SER 89 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2js3 n ARG 90 N -4.35 -2.22 -2.31 4.33 1.74 -1.26 -4.90 116.66 107.68 2js3 n ARG 90 Ca -0.07 1.92 -0.42 0.00 -0.77 0.00 0.00 57.85 58.50 2js3 n ARG 90 Cb 0.69 -4.79 -0.03 0.00 -1.02 0.00 0.00 32.46 27.31 2js3 n ARG 90 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2js3 s PRO 91 N -2.63 4.37 -0.36 5.56 0.04 -1.26 -5.01 135.00 135.72 2js3 s PRO 91 Ca 0.27 1.90 0.03 0.00 0.04 0.00 0.00 61.00 63.23 2js3 s PRO 91 Cb -0.06 -3.33 0.10 0.00 0.04 0.00 0.00 34.50 31.25 2js3 s PRO 91 CO 0.80 -0.36 0.08 0.15 0.04 0.00 0.00 177.00 177.71 2js3 s LYS 92 N 1.22 1.58 -0.71 4.56 1.02 -1.26 -5.06 119.74 121.10 2js3 s LYS 92 Ca 0.61 -1.91 -0.27 0.00 0.02 0.00 0.00 55.97 54.42 2js3 s LYS 92 Cb -0.32 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2js3 s LYS 92 CO 0.29 -0.97 1.30 -1.17 -0.92 0.00 0.00 175.35 173.89 2js3 s LEU 93 N 0.87 3.21 -0.12 3.17 0.20 -1.26 -4.78 118.68 119.97 2js3 s LEU 93 Ca 0.11 -0.31 0.19 0.00 0.69 0.00 0.00 54.13 54.81 2js3 s LEU 93 Cb -0.20 -2.65 -0.29 0.00 -0.43 0.00 0.00 46.19 42.62 2js3 s LEU 93 CO -0.07 -1.82 0.26 1.57 -0.29 0.00 0.00 176.35 176.00 2js3 n HIS 94 N 9.44 0.00 -4.10 5.38 -0.00 -1.26 -4.97 115.22 119.71 2js3 n HIS 94 Ca 0.05 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.09 2js3 n HIS 94 Cb 0.49 -0.74 -0.13 0.00 -0.12 0.00 0.00 29.99 29.49 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2js3 s ALA 95 N -2.96 0.49 -2.26 1.57 0.00 -1.26 -5.38 121.76 111.97 2js3 s ALA 95 Ca -0.09 -0.52 0.30 0.00 0.00 0.00 0.00 51.96 51.65 2js3 s ALA 95 Cb 0.10 -0.02 1.47 0.00 0.00 0.00 0.00 23.12 24.66 2js3 s ALA 95 CO 0.85 0.03 1.98 1.33 0.00 0.00 0.00 175.76 179.95