#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 -0.83 -0.56 3.03 0.00 -1.26 -4.68 107.32 103.02 2js3 s GLY 2 Ca 0.00 0.62 0.04 0.00 0.00 0.00 0.00 44.72 45.38 2js3 s GLY 2 CO 0.00 3.27 0.34 -0.56 0.00 0.00 0.00 173.10 176.15 2js3 s SER 3 N 2.66 4.19 -0.62 1.64 0.01 -1.26 -5.06 113.70 115.25 2js3 s SER 3 Ca 0.10 -3.24 -0.16 0.00 1.31 0.00 0.00 55.95 53.97 2js3 s SER 3 Cb -0.12 -1.45 0.15 0.00 0.21 0.00 0.00 66.02 64.81 2js3 s SER 3 CO -0.28 -0.18 0.59 -0.55 0.41 0.00 0.00 173.24 173.23 2js3 s SER 4 N -0.56 6.35 -0.44 2.44 0.15 -1.26 -4.86 113.70 115.52 2js3 s SER 4 Ca 0.21 -2.02 0.03 0.00 0.70 0.00 0.00 55.95 54.87 2js3 s SER 4 Cb -0.16 -2.22 0.12 0.00 -1.71 0.00 0.00 66.02 62.05 2js3 s SER 4 CO -0.07 -0.80 0.18 -1.00 1.20 0.00 0.00 173.24 172.76 2js3 s HIS 5 N 1.27 3.08 -0.34 3.44 4.02 -1.26 -5.09 115.29 120.42 2js3 s HIS 5 Ca 0.08 -2.92 -0.10 0.00 1.02 0.00 0.00 55.06 53.13 2js3 s HIS 5 Cb -0.24 -2.64 0.01 0.00 -1.02 0.00 0.00 32.58 28.68 2js3 s HIS 5 CO -0.00 -0.82 0.18 -3.38 1.02 0.00 0.00 174.74 171.74 2js3 s HIS 6 N 0.29 3.21 0.56 1.40 -3.43 -1.26 -5.08 115.29 110.98 2js3 s HIS 6 Ca 0.15 -0.69 0.07 0.00 -0.80 0.00 0.00 55.06 53.78 2js3 s HIS 6 Cb -0.23 -2.40 0.07 0.00 -1.43 0.00 0.00 32.58 28.59 2js3 s HIS 6 CO -0.04 -0.53 0.57 0.72 -2.00 0.00 0.00 174.74 173.46 2js3 n HIS 7 N 5.00 -1.30 -3.72 0.38 -0.00 -1.26 -5.14 115.22 109.18 2js3 n HIS 7 Ca -0.13 -2.21 -0.19 0.00 -0.00 0.00 0.00 57.72 55.18 2js3 n HIS 7 Cb 0.48 -0.49 -0.18 0.00 -0.00 0.00 0.00 29.99 29.81 2js3 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2js3 s HIS 8 N -2.64 0.16 0.16 4.41 0.09 -1.26 -5.14 115.29 111.08 2js3 s HIS 8 Ca 0.43 0.16 -0.06 0.00 -0.00 0.00 0.00 55.06 55.59 2js3 s HIS 8 Cb -0.03 -0.48 -0.02 0.00 -0.00 0.00 0.00 32.58 32.04 2js3 s HIS 8 CO 0.27 -0.19 0.22 -1.01 -0.00 0.00 0.00 174.74 174.04 2js3 s HIS 9 N 1.90 0.59 0.00 1.40 4.02 -1.26 -5.13 115.29 116.80 2js3 s HIS 9 Ca 0.02 -0.94 0.00 0.00 1.02 0.00 0.00 55.06 55.16 2js3 s HIS 9 Cb -0.12 -0.19 0.00 0.00 -1.02 0.00 0.00 32.58 31.24 2js3 s HIS 9 CO -0.03 -0.68 0.00 1.58 1.02 0.00 0.00 174.74 176.63 2js3 n HIS 10 N -0.20 0.00 -2.61 1.40 -0.00 -1.26 -5.13 115.22 107.42 2js3 n HIS 10 Ca -0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.35 2js3 n HIS 10 Cb 0.63 0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.63 2js3 n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2js3 s SER 11 N 0.38 6.61 0.54 0.26 0.01 -1.26 -5.09 113.70 115.15 2js3 s SER 11 Ca 0.00 1.41 0.08 0.00 1.31 0.00 0.00 55.95 58.75 2js3 s SER 11 Cb 0.00 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.85 2js3 s SER 11 CO 0.00 -0.49 0.60 -0.44 0.41 0.00 0.00 173.24 173.31 2js3 s SER 12 N -3.02 4.96 0.24 2.44 0.01 -1.26 -5.05 113.70 112.01 2js3 s SER 12 Ca 0.56 -0.96 0.08 0.00 1.31 0.00 0.00 55.95 56.94 2js3 s SER 12 Cb -0.10 0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 2js3 s SER 12 CO 0.30 -1.15 -0.13 -0.83 0.41 0.00 0.00 173.24 171.84 2js3 s GLY 13 N -4.45 1.62 -0.53 3.44 0.00 -1.26 -5.10 107.32 101.03 2js3 s GLY 13 Ca 0.50 -1.77 -0.20 0.00 0.00 0.00 0.00 44.72 43.25 2js3 s GLY 13 CO 0.31 -1.82 0.69 0.50 0.00 0.00 0.00 173.10 172.78 2js3 s ARG 14 N -3.65 3.13 -0.35 2.90 0.52 -1.26 -5.02 118.95 115.22 2js3 s ARG 14 Ca 0.26 -0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 54.52 2js3 s ARG 14 Cb -0.00 -4.13 0.05 0.00 0.52 0.00 0.00 34.95 31.39 2js3 s ARG 14 CO 0.10 -1.33 0.12 -2.00 0.02 0.00 0.00 175.30 172.21 2js3 s GLU 15 N 2.84 2.55 -0.44 3.54 2.56 -1.26 -4.99 118.70 123.51 2js3 s GLU 15 Ca 0.16 -1.26 -0.06 0.00 0.00 0.00 0.00 54.97 53.81 2js3 s GLU 15 Cb -0.19 -3.47 -0.16 0.00 2.00 0.00 0.00 34.13 32.31 2js3 s GLU 15 CO 0.12 -0.72 3.29 0.27 -0.56 0.00 0.00 175.26 177.66 2js3 n ASN 16 N 4.79 6.23 -3.79 -1.70 2.04 -1.26 -4.79 115.26 116.78 2js3 n ASN 16 Ca -0.12 -2.66 -0.16 0.00 -0.44 0.00 0.00 54.58 51.20 2js3 n ASN 16 Cb 0.44 -1.41 -0.16 0.00 -2.53 0.00 0.00 39.78 36.12 2js3 n ASN 16 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 2js3 s LEU 17 N -0.48 1.06 0.48 -4.53 2.96 -1.26 -5.16 118.68 111.74 2js3 s LEU 17 Ca 0.65 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.63 2js3 s LEU 17 Cb 0.30 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.87 2js3 s LEU 17 CO -0.06 -0.12 0.66 -0.47 -1.32 0.00 0.00 176.35 175.04 2js3 s TYR 18 N 1.12 2.84 -0.98 5.38 5.04 -1.26 -4.98 117.35 124.51 2js3 s TYR 18 Ca -0.08 -0.23 -0.24 0.00 -2.44 0.00 0.00 57.07 54.08 2js3 s TYR 18 Cb -0.13 -2.54 -0.02 0.00 0.35 0.00 0.00 41.96 39.62 2js3 s TYR 18 CO -0.02 -0.61 1.81 -0.06 -1.34 0.00 0.00 175.55 175.33 2js3 s PHE 19 N -2.53 2.04 0.00 4.97 0.08 -1.26 -4.40 117.98 116.89 2js3 s PHE 19 Ca 0.56 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.77 2js3 s PHE 19 Cb -0.10 -4.23 0.00 0.00 -0.57 0.00 0.00 43.02 38.12 2js3 s PHE 19 CO 0.35 -1.74 0.00 1.04 -0.10 0.00 0.00 175.22 174.77 2js3 n GLN 20 N 8.79 0.00 -2.61 0.44 6.02 -1.26 -4.95 117.38 123.81 2js3 n GLN 20 Ca 0.39 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.96 2js3 n GLN 20 Cb 0.48 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.75 2js3 n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2js3 n GLY 21 N 0.46 5.00 3.78 1.08 0.00 -1.26 -5.02 105.19 109.23 2js3 n GLY 21 Ca 0.00 -2.35 -0.37 0.00 0.00 0.00 0.00 46.02 43.30 2js3 n GLY 21 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2js3 s MET 22 N -1.13 4.13 0.00 1.61 1.75 -1.26 -4.92 119.30 119.48 2js3 s MET 22 Ca 0.36 1.60 0.26 0.00 -1.25 0.00 0.00 55.69 56.66 2js3 s MET 22 Cb 0.08 -2.58 1.54 0.00 2.84 0.00 0.00 34.83 36.71 2js3 s MET 22 CO 0.04 -0.19 1.90 2.41 -0.65 0.00 0.00 175.02 178.54 2js3 n THR 23 N -0.03 0.00 0.00 10.11 -1.04 -1.26 -4.88 114.28 117.18 2js3 n THR 23 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2js3 n THR 23 Cb 0.49 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 2js3 n THR 23 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2js3 n ASP 24 N -0.98 0.00 0.23 8.00 2.03 -1.26 -4.61 116.55 119.96 2js3 n ASP 24 Ca 0.19 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.64 2js3 n ASP 24 Cb 0.09 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 41.22 2js3 n ASP 24 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2js3 h THR 25 N 0.00 0.00 -0.18 5.18 2.02 -2.03 -0.45 112.91 117.45 2js3 h THR 25 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2js3 h THR 25 Cb 0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2js3 h THR 25 CO 0.00 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.06 2js3 h ALA 26 N 1.79 1.93 -0.43 6.16 0.00 -1.96 -1.24 119.26 125.51 2js3 h ALA 26 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2js3 h ALA 26 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2js3 h ALA 26 CO 0.00 -0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.29 2js3 h ALA 27 N 1.84 2.13 -0.40 0.00 0.00 -1.47 0.22 119.26 121.58 2js3 h ALA 27 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2js3 h ALA 27 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2js3 h ALA 27 CO -0.00 -0.23 0.23 1.49 0.00 0.00 0.00 179.25 180.74 2js3 h GLU 28 N 0.21 0.54 0.01 0.00 4.57 -1.44 0.12 114.58 118.60 2js3 h GLU 28 Ca 0.20 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.12 2js3 h GLU 28 Cb 0.51 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2js3 h GLU 28 CO -0.04 0.42 -0.93 -0.44 -1.18 0.00 0.00 179.01 176.84 2js3 h ASP 29 N 0.52 0.12 0.12 1.04 3.32 -1.38 -2.72 116.42 117.44 2js3 h ASP 29 Ca 0.14 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2js3 h ASP 29 Cb 0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2js3 h ASP 29 CO -0.03 0.98 -0.41 0.58 -1.72 0.00 0.00 179.24 178.65 2js3 h VAL 30 N 0.04 1.31 0.00 -1.35 2.07 -0.78 -2.47 116.25 115.06 2js3 h VAL 30 Ca -0.03 -1.55 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 2js3 h VAL 30 Cb 1.61 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 2js3 h VAL 30 CO 0.13 0.47 -0.52 0.08 0.02 0.00 0.00 177.57 177.75 2js3 h ARG 31 N 0.31 0.00 -0.00 1.57 0.11 -0.74 -1.40 114.38 114.23 2js3 h ARG 31 Ca 0.03 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.12 2js3 h ARG 31 Cb 0.86 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.92 2js3 h ARG 31 CO 0.07 0.52 -0.06 0.87 0.10 0.00 0.00 179.97 181.47 2js3 h LYS 32 N 0.00 -0.11 0.00 0.08 1.57 -1.12 0.23 116.57 117.22 2js3 h LYS 32 Ca -0.01 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2js3 h LYS 32 Cb 1.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2js3 h LYS 32 CO 0.07 -0.07 -0.44 -0.84 -0.57 0.00 0.00 179.45 177.59 2js3 h ILE 33 N -0.11 1.29 -0.19 1.86 3.07 -1.41 -1.00 117.51 121.01 2js3 h ILE 33 Ca 0.03 -1.54 -0.06 0.00 1.55 0.00 0.00 64.86 64.84 2js3 h ILE 33 Cb 0.15 1.84 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 2js3 h ILE 33 CO -0.07 0.43 -0.15 0.00 -1.05 0.00 0.00 178.15 177.32 2js3 h ALA 34 N 1.56 1.41 0.00 0.16 0.00 -0.81 -2.04 119.26 119.53 2js3 h ALA 34 Ca -0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2js3 h ALA 34 Cb 0.80 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2js3 h ALA 34 CO 0.06 0.41 -0.83 1.15 0.00 0.00 0.00 179.25 180.03 2js3 h THR 35 N 0.29 1.58 0.00 0.00 2.02 0.24 -2.91 112.91 114.13 2js3 h THR 35 Ca 0.06 -2.81 -0.01 0.00 0.77 0.00 0.00 66.41 64.41 2js3 h THR 35 Cb 0.44 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2js3 h THR 35 CO 0.03 0.81 -0.06 0.00 0.37 0.00 0.00 175.52 176.66 2js3 h ALA 36 N 1.15 1.55 -0.56 6.16 0.00 -0.51 -1.00 119.26 126.05 2js3 h ALA 36 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2js3 h ALA 36 Cb 1.47 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2js3 h ALA 36 CO 0.11 0.08 0.26 -0.07 0.00 0.00 0.00 179.25 179.63 2js3 h LEU 37 N 0.00 0.74 -1.16 0.00 3.38 -1.23 -1.88 115.31 115.15 2js3 h LEU 37 Ca -0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2js3 h LEU 37 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2js3 h LEU 37 CO 0.01 0.66 -0.32 -0.07 0.09 0.00 0.00 178.44 178.82 2js3 h LEU 38 N 0.76 0.00 -0.48 1.67 4.07 -1.29 0.45 115.31 120.49 2js3 h LEU 38 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2js3 h LEU 38 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2js3 h LEU 38 CO -0.02 0.32 0.00 0.50 -1.08 0.00 0.00 178.44 178.15 2js3 h LYS 39 N 0.00 0.00 0.00 1.13 1.63 -0.75 -3.25 116.57 115.33 2js3 h LYS 39 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2js3 h LYS 39 Cb 0.76 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2js3 h LYS 39 CO 0.04 0.00 -0.75 0.25 -3.45 0.00 0.00 179.45 175.54 2js3 n THR 40 N -2.89 0.65 0.23 1.00 -2.24 -0.76 -4.76 114.28 105.52 2js3 n THR 40 Ca 0.03 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 2js3 n THR 40 Cb 0.42 -1.61 0.30 0.00 -2.10 0.00 0.00 70.33 67.34 2js3 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2js3 h ALA 41 N -0.13 0.99 -2.09 6.98 0.00 -0.32 -3.39 119.26 121.30 2js3 h ALA 41 Ca -0.05 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.17 2js3 h ALA 41 Cb 0.68 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.30 2js3 h ALA 41 CO -0.03 0.02 0.09 0.42 0.00 0.00 0.00 179.25 179.74 2js3 s ILE 42 N -3.32 4.83 -0.02 0.00 -1.09 -1.23 -3.59 121.20 116.78 2js3 s ILE 42 Ca 0.05 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2js3 s ILE 42 Cb 0.06 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 2js3 s ILE 42 CO 0.64 -0.81 -0.08 -0.70 -1.23 0.00 0.00 174.94 172.76 2js3 s GLU 43 N 2.74 0.86 -0.22 2.79 2.12 -0.45 -4.74 118.70 121.81 2js3 s GLU 43 Ca 0.17 -0.27 -0.20 0.00 0.36 0.00 0.00 54.97 55.03 2js3 s GLU 43 Cb -0.18 -0.82 -0.02 0.00 0.26 0.00 0.00 34.13 33.37 2js3 s GLU 43 CO 0.13 0.09 0.60 -1.50 -0.54 0.00 0.00 175.26 174.05 2js3 s ILE 44 N 0.22 5.03 -0.43 -3.70 -1.16 -1.26 -0.65 121.20 119.25 2js3 s ILE 44 Ca -0.03 1.11 -0.17 0.00 -0.51 0.00 0.00 60.65 61.04 2js3 s ILE 44 Cb -0.08 -3.91 0.03 0.00 0.61 0.00 0.00 42.46 39.10 2js3 s ILE 44 CO 0.00 0.10 0.46 0.68 -2.81 0.00 0.00 174.94 173.37 2js3 s VAL 45 N 2.05 5.07 0.13 4.00 -7.23 0.11 -4.91 120.40 119.62 2js3 s VAL 45 Ca 0.27 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.77 2js3 s VAL 45 Cb -0.16 -4.07 -0.07 0.00 0.56 0.00 0.00 36.38 32.65 2js3 s VAL 45 CO 0.10 -0.46 1.15 -0.94 -0.31 0.00 0.00 175.10 174.63 2js3 s SER 46 N 1.90 7.17 0.25 4.85 1.04 -1.26 -1.38 113.70 126.26 2js3 s SER 46 Ca 0.12 2.08 -0.29 0.00 0.48 0.00 0.00 55.95 58.34 2js3 s SER 46 Cb -0.17 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.26 2js3 s SER 46 CO 0.14 -0.34 0.93 -1.61 0.98 0.00 0.00 173.24 173.34 2js3 s GLU 47 N 0.22 4.80 0.54 4.02 0.41 -0.28 -4.92 118.70 123.49 2js3 s GLU 47 Ca 0.53 1.45 0.23 0.00 -0.41 0.00 0.00 54.97 56.77 2js3 s GLU 47 Cb -0.30 -3.20 1.49 0.00 -1.78 0.00 0.00 34.13 30.34 2js3 s GLU 47 CO 0.33 0.49 2.17 1.49 -0.49 0.00 0.00 175.26 179.25 2js3 h GLU 48 N 4.01 0.00 0.00 1.61 4.81 -1.95 0.26 114.58 123.31 2js3 h GLU 48 Ca -0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2js3 h GLU 48 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2js3 h GLU 48 CO 0.67 0.03 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.52 2js3 h ASP 49 N 0.00 0.00 0.00 1.04 5.19 -2.04 -3.44 116.42 117.17 2js3 h ASP 49 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2js3 h ASP 49 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2js3 h ASP 49 CO 0.00 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 2js3 n GLY 50 N -0.97 1.63 0.00 2.75 0.00 0.06 -5.13 105.19 103.53 2js3 n GLY 50 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.75 2.83 3.64 -0.02 0.00 -1.09 -4.92 105.19 104.88 2js3 n GLY 51 Ca 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.00 -1.99 -0.30 4.61 0.00 -1.26 -1.12 121.76 119.69 2js3 s ALA 52 Ca 0.00 2.38 -0.03 0.00 0.00 0.00 0.00 51.96 54.31 2js3 s ALA 52 Cb 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 23.12 21.55 2js3 s ALA 52 CO 0.00 -0.66 0.02 -1.01 0.00 0.00 0.00 175.76 174.11 2js3 s HIS 53 N 2.26 3.25 -0.55 0.00 3.76 -0.48 -4.48 115.29 119.05 2js3 s HIS 53 Ca -0.08 -1.75 -0.27 0.00 -0.15 0.00 0.00 55.06 52.81 2js3 s HIS 53 Cb -0.08 -2.14 0.03 0.00 1.11 0.00 0.00 32.58 31.50 2js3 s HIS 53 CO -0.19 -0.78 1.07 1.21 -0.85 0.00 0.00 174.74 175.20 2js3 s ASN 54 N 1.29 6.44 -0.09 1.40 2.47 -0.94 0.06 114.94 125.57 2js3 s ASN 54 Ca -0.04 -0.00 -0.00 0.00 0.42 0.00 0.00 52.86 53.24 2js3 s ASN 54 Cb -0.19 -2.50 -0.03 0.00 -1.45 0.00 0.00 41.25 37.08 2js3 s ASN 54 CO -0.00 -1.32 -0.07 -1.10 -3.72 0.00 0.00 177.10 170.88 2js3 s GLN 55 N 4.43 2.98 -0.16 0.43 -0.21 0.17 0.34 119.66 127.65 2js3 s GLN 55 Ca 0.39 -0.56 -0.11 0.00 0.02 0.00 0.00 55.36 55.10 2js3 s GLN 55 Cb -0.09 -2.65 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 2js3 s GLN 55 CO 0.24 0.54 0.20 0.00 -2.12 0.00 0.00 175.29 174.16 2js3 n LYS 57 N 3.15 0.69 0.00 0.00 4.81 -1.24 -1.31 118.16 124.25 2js3 n LYS 57 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 2js3 n LYS 57 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2js3 n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2js3 n LEU 58 N 0.00 0.00 -0.00 3.14 7.94 -1.26 -1.86 117.00 124.96 2js3 n LEU 58 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2js3 n LEU 58 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2js3 n LEU 58 CO 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 177.39 176.04 2js3 n GLY 60 N 1.60 -0.17 3.20 0.00 0.00 -0.78 -5.11 105.19 103.93 2js3 n GLY 60 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.70 1.50 -0.00 4.61 0.00 -0.43 -5.03 121.76 119.70 2js3 s ALA 61 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2js3 s ALA 61 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2js3 s ALA 61 CO 0.00 0.32 0.17 -1.12 0.00 0.00 0.00 175.76 175.13 2js3 s SER 62 N -1.07 6.27 -0.01 0.00 0.01 -1.26 -1.17 113.70 116.47 2js3 s SER 62 Ca 0.05 0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.65 2js3 s SER 62 Cb -0.08 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 2js3 s SER 62 CO 0.01 0.26 -0.10 -0.69 0.41 0.00 0.00 173.24 173.13 2js3 s VAL 63 N -1.32 0.78 0.08 3.43 1.01 0.15 -4.93 120.40 119.61 2js3 s VAL 63 Ca 0.27 -0.42 -0.36 0.00 0.00 0.00 0.00 61.98 61.48 2js3 s VAL 63 Cb -0.13 -0.66 -0.15 0.00 0.00 0.00 0.00 36.38 35.44 2js3 s VAL 63 CO 0.19 0.22 1.51 -2.65 0.00 0.00 0.00 175.10 174.37 2js3 n PRO 64 N 2.88 1.63 -0.22 2.72 -0.02 -1.26 -2.21 135.00 138.52 2js3 n PRO 64 Ca -0.14 0.59 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 2js3 n PRO 64 Cb 0.56 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2js3 n PRO 64 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2js3 h TRP 65 N 5.65 1.04 -0.40 6.00 -0.00 -1.88 -3.08 115.95 123.30 2js3 h TRP 65 Ca -0.47 -0.12 -0.22 0.00 -0.00 0.00 0.00 58.89 58.08 2js3 h TRP 65 Cb 1.30 -0.29 -0.12 0.00 -0.00 0.00 0.00 29.16 30.04 2js3 h TRP 65 CO 0.64 0.87 0.28 1.28 -0.00 0.00 0.00 178.44 181.52 2js3 n LEU 66 N -4.33 4.94 -3.92 0.65 4.32 -1.26 -4.78 117.00 112.61 2js3 n LEU 66 Ca 0.04 -2.54 -0.10 0.00 -0.02 0.00 0.00 56.01 53.38 2js3 n LEU 66 Cb 0.24 -0.74 -0.11 0.00 -1.62 0.00 0.00 43.42 41.19 2js3 n LEU 66 CO 0.41 0.84 -0.26 -1.58 -1.22 0.00 0.00 177.39 175.58 2js3 s GLN 67 N -1.36 0.37 0.00 3.23 0.74 -1.16 -5.02 119.66 116.46 2js3 s GLN 67 Ca 0.23 -0.45 0.09 0.00 0.05 0.00 0.00 55.36 55.29 2js3 s GLN 67 Cb 0.19 0.15 0.44 0.00 1.10 0.00 0.00 33.01 34.89 2js3 s GLN 67 CO 0.03 -0.08 1.23 -2.37 -0.55 0.00 0.00 175.29 173.55 2js3 n THR 68 N 1.65 1.03 0.00 -0.34 5.66 -1.26 -4.81 114.28 116.21 2js3 n THR 68 Ca -0.22 0.26 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2js3 n THR 68 Cb 0.56 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 2js3 n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2js3 n GLY 69 N -0.51 4.36 0.02 1.09 0.00 -1.26 -4.98 105.19 103.91 2js3 n GLY 69 Ca 0.04 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.59 -3.30 1.61 2.03 -1.26 -4.32 116.55 111.90 2js3 n ASP 70 Ca 0.00 -0.19 -0.24 0.00 0.52 0.00 0.00 54.79 54.88 2js3 n ASP 70 Cb 0.00 0.36 0.04 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.72 -5.61 -1.64 -0.67 -0.58 -1.26 -4.33 120.64 104.83 2js3 n GLU 71 Ca 0.04 0.81 -0.40 0.00 -0.42 0.00 0.00 57.16 57.19 2js3 n GLU 71 Cb 0.38 -5.71 0.02 0.00 -0.57 0.00 0.00 31.44 25.55 2js3 n GLU 71 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2js3 n ILE 72 N -4.60 2.75 -1.74 -3.67 3.06 -1.26 -4.90 119.36 109.00 2js3 n ILE 72 Ca -0.05 -0.50 -0.41 0.00 -2.50 0.00 0.00 62.75 59.29 2js3 n ILE 72 Cb 0.59 -1.30 0.01 0.00 0.54 0.00 0.00 39.64 39.48 2js3 n ILE 72 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2js3 n LYS 73 N -0.13 2.25 -4.58 9.51 5.02 -1.26 -5.02 118.16 123.94 2js3 n LYS 73 Ca 0.09 0.80 -0.27 0.00 -2.02 0.00 0.00 58.31 56.91 2js3 n LYS 73 Cb 0.41 -2.53 -0.09 0.00 -0.02 0.00 0.00 35.03 32.80 2js3 n LYS 73 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2js3 s HIS 74 N -1.16 1.98 0.50 2.13 3.76 -1.26 -5.05 115.29 116.19 2js3 s HIS 74 Ca 0.58 -1.00 -0.22 0.00 -0.15 0.00 0.00 55.06 54.27 2js3 s HIS 74 Cb -0.49 -1.41 -0.06 0.00 1.11 0.00 0.00 32.58 31.73 2js3 s HIS 74 CO 0.60 0.05 1.18 0.00 -0.85 0.00 0.00 174.74 175.71 2js3 s ALA 75 N -3.07 2.86 0.10 -1.40 0.00 -1.26 -4.89 121.76 114.10 2js3 s ALA 75 Ca 0.25 0.95 0.33 0.00 0.00 0.00 0.00 51.96 53.49 2js3 s ALA 75 Cb 0.05 -3.40 1.58 0.00 0.00 0.00 0.00 23.12 21.36 2js3 s ALA 75 CO 0.13 -0.79 1.99 -0.44 0.00 0.00 0.00 175.76 176.64 2js3 h ASP 76 N 1.69 0.00 0.07 0.00 5.19 -2.05 -1.43 116.42 119.89 2js3 h ASP 76 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2js3 h ASP 76 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2js3 h ASP 76 CO 0.59 0.00 -0.08 -0.67 -3.12 0.00 0.00 179.24 175.96 2js3 n ASP 77 N -2.76 1.26 -4.68 6.45 2.03 -1.26 -4.87 116.55 112.72 2js3 n ASP 77 Ca -0.01 -1.27 -0.41 0.00 0.52 0.00 0.00 54.79 53.62 2js3 n ASP 77 Cb 0.17 0.03 -0.04 0.00 -0.72 0.00 0.00 41.12 40.56 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 7.22 0.00 -0.19 0.00 0.11 -1.89 -2.57 132.00 134.68 2js3 h PRO 79 Ca -0.31 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.83 2js3 h PRO 79 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2js3 h PRO 79 CO 0.83 0.00 0.13 0.28 -0.21 0.00 0.00 178.00 179.03 2js3 h VAL 80 N 0.00 0.98 -0.79 3.15 2.07 -1.94 -1.04 116.25 118.69 2js3 h VAL 80 Ca 0.00 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2js3 h VAL 80 Cb 0.11 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2js3 h VAL 80 CO 0.00 0.02 0.33 0.58 0.02 0.00 0.00 177.57 178.52 2js3 h VAL 81 N 0.13 1.26 -0.28 2.57 2.07 -1.80 -1.87 116.25 118.33 2js3 h VAL 81 Ca 0.08 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2js3 h VAL 81 Cb 0.15 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2js3 h VAL 81 CO -0.01 0.33 0.04 0.40 0.02 0.00 0.00 177.57 178.34 2js3 h ILE 82 N 1.13 1.24 -0.91 4.57 1.08 -1.40 -2.46 117.51 120.75 2js3 h ILE 82 Ca 0.26 -0.81 0.04 0.00 -0.39 0.00 0.00 64.86 63.96 2js3 h ILE 82 Cb 0.19 1.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 2js3 h ILE 82 CO -0.02 0.26 0.60 0.00 -0.69 0.00 0.00 178.15 178.30 2js3 h ALA 83 N 0.86 1.44 -0.55 1.87 0.00 -1.22 -1.73 119.26 119.93 2js3 h ALA 83 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2js3 h ALA 83 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2js3 h ALA 83 CO 0.01 0.47 -0.03 0.87 0.00 0.00 0.00 179.25 180.56 2js3 h LYS 84 N 1.13 0.97 -0.64 0.00 1.57 -1.18 -2.03 116.57 116.38 2js3 h LYS 84 Ca 0.37 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2js3 h LYS 84 Cb 0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2js3 h LYS 84 CO -0.12 0.98 0.39 1.96 -0.57 0.00 0.00 179.45 182.09 2js3 h GLN 85 N 0.88 0.74 -0.05 3.15 4.20 -0.86 -1.11 115.11 122.07 2js3 h GLN 85 Ca 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2js3 h GLN 85 Cb 0.56 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2js3 h GLN 85 CO 0.03 0.49 0.02 0.82 -0.67 0.00 0.00 178.83 179.53 2js3 h ILE 86 N 0.76 1.10 0.00 2.54 2.04 -1.08 -2.31 117.51 120.57 2js3 h ILE 86 Ca 0.26 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2js3 h ILE 86 Cb 0.04 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2js3 h ILE 86 CO -0.12 0.08 0.00 0.17 0.00 0.00 0.00 178.15 178.29 2js3 h LEU 87 N -0.04 0.00 0.01 1.44 8.10 -1.20 -2.54 115.31 121.08 2js3 h LEU 87 Ca 0.02 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.74 2js3 h LEU 87 Cb 0.11 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.35 2js3 h LEU 87 CO -0.00 0.00 -1.13 0.28 -4.11 0.00 0.00 178.44 173.48 2js3 h SER 88 N 0.00 0.69 -2.58 0.17 0.02 -0.83 -3.47 113.55 107.54 2js3 h SER 88 Ca 0.00 -0.61 -0.40 0.00 -0.84 0.00 0.00 61.79 59.94 2js3 h SER 88 Cb 0.49 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2js3 h SER 88 CO 0.00 1.43 -0.49 -0.24 -1.14 0.00 0.00 176.83 176.39 2js3 n SER 89 N -3.73 -5.65 -3.87 3.07 2.88 -0.90 -4.97 113.62 100.45 2js3 n SER 89 Ca -0.10 0.05 -0.12 0.00 -1.33 0.00 0.00 58.87 57.37 2js3 n SER 89 Cb 0.93 -4.70 -0.14 0.00 -0.75 0.00 0.00 64.21 59.55 2js3 n SER 89 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2js3 s ARG 90 N -4.81 0.03 -0.36 -1.46 3.52 -1.26 -5.09 118.95 109.51 2js3 s ARG 90 Ca 0.00 -0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 2js3 s ARG 90 Cb 0.00 0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.32 2js3 s ARG 90 CO 0.00 -0.00 2.28 -2.30 -0.81 0.00 0.00 175.30 174.47 2js3 n PRO 91 N 2.99 1.36 0.04 5.12 -0.02 -1.26 -4.81 135.00 138.42 2js3 n PRO 91 Ca -0.13 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2js3 n PRO 91 Cb 0.60 -2.94 0.06 0.00 -0.02 0.00 0.00 33.50 31.20 2js3 n PRO 91 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2js3 n LYS 92 N 8.62 0.33 -2.98 -0.52 4.81 -1.26 -4.89 118.16 122.28 2js3 n LYS 92 Ca 0.37 0.03 -0.38 0.00 -0.87 0.00 0.00 58.31 57.46 2js3 n LYS 92 Cb 0.38 -1.64 -0.06 0.00 0.02 0.00 0.00 35.03 33.72 2js3 n LYS 92 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2js3 s LEU 93 N -4.18 4.51 0.00 3.14 -0.00 -1.26 -4.99 118.68 115.90 2js3 s LEU 93 Ca 0.04 1.62 0.00 0.00 -0.00 0.00 0.00 54.13 55.79 2js3 s LEU 93 Cb 0.14 -3.45 0.00 0.00 -0.00 0.00 0.00 46.19 42.88 2js3 s LEU 93 CO 0.78 0.14 0.00 1.41 -0.00 0.00 0.00 176.35 178.67 2js3 n HIS 94 N 1.27 0.00 -3.74 3.48 8.25 -1.26 -5.04 115.22 118.18 2js3 n HIS 94 Ca -0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.12 2js3 n HIS 94 Cb 0.49 0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.47 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2js3 s ALA 95 N -2.00 1.86 -2.30 -1.41 0.00 -1.26 -5.29 121.76 111.36 2js3 s ALA 95 Ca 0.00 -2.10 0.18 0.00 0.00 0.00 0.00 51.96 50.05 2js3 s ALA 95 Cb 0.00 -1.75 0.15 0.00 0.00 0.00 0.00 23.12 21.51 2js3 s ALA 95 CO 0.00 -1.83 1.08 0.28 0.00 0.00 0.00 175.76 175.29