#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2js3 n GLY 2 N 0.00 -0.55 0.02 3.03 0.00 -1.26 -4.94 105.19 101.50 2js3 n GLY 2 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 2js3 n GLY 2 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2js3 h SER 3 N 0.00 0.00 -2.11 1.61 4.64 -2.14 -3.47 113.55 112.09 2js3 h SER 3 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2js3 h SER 3 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2js3 h SER 3 CO 0.00 0.20 -0.39 -1.20 -0.87 0.00 0.00 176.83 174.57 2js3 n SER 4 N -3.02 -4.99 -4.34 4.97 7.64 -1.26 -4.90 113.62 107.72 2js3 n SER 4 Ca -0.01 0.27 -0.47 0.00 1.01 0.00 0.00 58.87 59.68 2js3 n SER 4 Cb 0.03 -4.34 -0.02 0.00 -1.01 0.00 0.00 64.21 58.88 2js3 n SER 4 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2js3 s HIS 5 N -2.70 3.82 -0.25 1.43 5.65 -1.26 -4.94 115.29 117.04 2js3 s HIS 5 Ca 0.00 -2.08 -0.33 0.00 0.25 0.00 0.00 55.06 52.90 2js3 s HIS 5 Cb 0.00 -3.85 0.17 0.00 -1.18 0.00 0.00 32.58 27.72 2js3 s HIS 5 CO 0.00 -1.01 1.30 -3.38 -0.65 0.00 0.00 174.74 171.00 2js3 s HIS 6 N 0.05 -0.08 0.00 3.88 -0.00 -1.26 -5.14 115.29 112.74 2js3 s HIS 6 Ca 0.21 0.10 0.00 0.00 -0.00 0.00 0.00 55.06 55.37 2js3 s HIS 6 Cb -0.10 0.50 0.00 0.00 -0.00 0.00 0.00 32.58 32.98 2js3 s HIS 6 CO -0.09 -0.10 0.00 -2.39 -0.00 0.00 0.00 174.74 172.16 2js3 n HIS 7 N 0.26 -0.00 -3.83 0.38 -0.00 -1.26 -5.18 115.22 105.59 2js3 n HIS 7 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2js3 n HIS 7 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.58 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 -0.01 -0.01 -0.11 -1.40 0.09 -1.26 -5.16 115.29 107.43 2js3 s HIS 8 Ca 0.00 -0.55 -0.05 0.00 -0.00 0.00 0.00 55.06 54.45 2js3 s HIS 8 Cb 0.00 0.77 0.05 0.00 -0.00 0.00 0.00 32.58 33.40 2js3 s HIS 8 CO 0.00 -1.37 0.26 -3.38 -0.00 0.00 0.00 174.74 170.25 2js3 s HIS 9 N -2.93 -0.36 -0.12 1.40 -0.00 -1.26 -5.16 115.29 106.86 2js3 s HIS 9 Ca 0.14 0.85 -0.06 0.00 -0.00 0.00 0.00 55.06 55.99 2js3 s HIS 9 Cb -0.05 0.05 0.05 0.00 -0.00 0.00 0.00 32.58 32.63 2js3 s HIS 9 CO 0.09 -0.26 0.29 -1.58 -0.00 0.00 0.00 174.74 173.27 2js3 s HIS 10 N 1.46 -0.40 -0.21 0.38 5.65 -1.26 -5.14 115.29 115.77 2js3 s HIS 10 Ca -0.08 0.92 -0.10 0.00 0.25 0.00 0.00 55.06 56.05 2js3 s HIS 10 Cb -0.11 0.09 -0.05 0.00 -1.18 0.00 0.00 32.58 31.34 2js3 s HIS 10 CO -0.09 -0.27 0.13 0.45 -0.65 0.00 0.00 174.74 174.31 2js3 s SER 11 N 1.38 6.11 0.00 9.88 0.15 -1.26 -4.92 113.70 125.05 2js3 s SER 11 Ca -0.09 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.76 2js3 s SER 11 Cb -0.10 -2.08 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 2js3 s SER 11 CO -0.10 0.15 0.75 -1.20 1.20 0.00 0.00 173.24 174.05 2js3 n SER 12 N 3.72 -0.06 -4.80 5.45 7.64 -1.26 -5.12 113.62 119.18 2js3 n SER 12 Ca -0.16 -1.48 -0.36 0.00 1.01 0.00 0.00 58.87 57.88 2js3 n SER 12 Cb 0.52 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 2js3 n SER 12 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2js3 s GLY 13 N -0.55 2.66 -0.07 0.23 0.00 -1.26 -5.06 107.32 103.27 2js3 s GLY 13 Ca 0.02 0.35 -0.03 0.00 0.00 0.00 0.00 44.72 45.06 2js3 s GLY 13 CO -0.01 0.73 0.14 -1.60 0.00 0.00 0.00 173.10 172.36 2js3 s ARG 14 N -2.19 0.03 0.27 2.90 6.06 -1.26 -4.86 118.95 119.90 2js3 s ARG 14 Ca 0.49 0.49 0.00 0.00 -2.50 0.00 0.00 55.73 54.20 2js3 s ARG 14 Cb -0.16 -0.28 0.00 0.00 0.06 0.00 0.00 34.95 34.57 2js3 s ARG 14 CO 0.21 -0.27 0.00 -1.91 -2.50 0.00 0.00 175.30 170.83 2js3 n GLU 15 N 5.03 0.00 -3.94 5.12 4.07 -1.26 -5.14 120.64 124.52 2js3 n GLU 15 Ca -0.10 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.91 2js3 n GLU 15 Cb 0.50 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.79 2js3 n GLU 15 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2js3 s ASN 16 N -1.78 0.22 -0.30 4.31 2.47 -1.26 -5.15 114.94 113.45 2js3 s ASN 16 Ca 0.00 -0.64 -0.10 0.00 0.42 0.00 0.00 52.86 52.54 2js3 s ASN 16 Cb 0.00 0.25 0.17 0.00 -1.45 0.00 0.00 41.25 40.22 2js3 s ASN 16 CO 0.00 -0.58 0.85 -0.22 -3.72 0.00 0.00 177.10 173.44 2js3 s LEU 17 N -2.44 -0.85 0.00 3.21 0.20 -1.26 -4.31 118.68 113.23 2js3 s LEU 17 Ca -0.00 0.78 0.00 0.00 0.69 0.00 0.00 54.13 55.59 2js3 s LEU 17 Cb 0.02 1.81 0.00 0.00 -0.43 0.00 0.00 46.19 47.59 2js3 s LEU 17 CO -0.07 -0.16 0.00 0.00 -0.29 0.00 0.00 176.35 175.83 2js3 n TYR 18 N 5.31 0.00 0.00 5.38 9.36 -1.26 -4.95 117.16 131.01 2js3 n TYR 18 Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.15 2js3 n TYR 18 Cb 0.52 0.17 0.00 0.00 -0.63 0.00 0.00 39.34 39.40 2js3 n TYR 18 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2js3 n PHE 19 N -2.34 0.00 -0.07 2.98 3.72 -1.26 -4.90 117.46 115.59 2js3 n PHE 19 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2js3 n PHE 19 Cb 0.20 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.64 2js3 n PHE 19 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2js3 n GLN 20 N 0.00 1.46 -3.18 -1.08 7.27 -1.26 -5.01 117.38 115.58 2js3 n GLN 20 Ca 0.00 0.02 0.04 0.00 0.07 0.00 0.00 57.00 57.13 2js3 n GLN 20 Cb 0.00 -1.35 -0.03 0.00 2.41 0.00 0.00 30.24 31.27 2js3 n GLN 20 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2js3 s GLY 21 N -4.91 0.07 0.28 1.69 0.00 -1.26 -5.12 107.32 98.08 2js3 s GLY 21 Ca -0.11 3.37 -0.02 0.00 0.00 0.00 0.00 44.72 47.97 2js3 s GLY 21 CO 0.52 3.62 0.39 1.03 0.00 0.00 0.00 173.10 178.66 2js3 n MET 22 N 4.99 0.13 -2.43 2.90 2.81 -1.26 -1.61 117.12 122.65 2js3 n MET 22 Ca -0.08 -0.90 -0.01 0.00 -1.81 0.00 0.00 57.70 54.90 2js3 n MET 22 Cb 0.55 -0.31 -0.01 0.00 -0.71 0.00 0.00 33.22 32.74 2js3 n MET 22 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2js3 n THR 23 N -2.11 -8.54 0.00 2.03 -2.24 -1.26 -3.83 114.28 98.32 2js3 n THR 23 Ca 0.06 1.93 0.00 0.00 -2.27 0.00 0.00 64.05 63.77 2js3 n THR 23 Cb 0.21 -4.65 0.00 0.00 -2.10 0.00 0.00 70.33 63.79 2js3 n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2js3 n ASP 24 N 1.96 0.00 0.25 3.42 8.00 -1.26 -4.21 116.55 124.71 2js3 n ASP 24 Ca -0.10 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.50 2js3 n ASP 24 Cb 0.15 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 41.91 2js3 n ASP 24 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2js3 h THR 25 N 0.00 0.73 -0.99 -3.53 2.02 -1.77 -3.19 112.91 106.19 2js3 h THR 25 Ca 0.00 -0.59 0.14 0.00 0.77 0.00 0.00 66.41 66.73 2js3 h THR 25 Cb 0.00 1.36 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 2js3 h THR 25 CO 0.00 0.14 0.61 0.00 0.37 0.00 0.00 175.52 176.64 2js3 h ALA 26 N 1.85 1.52 -0.39 6.16 0.00 -1.43 0.26 119.26 127.24 2js3 h ALA 26 Ca -0.00 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2js3 h ALA 26 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2js3 h ALA 26 CO 0.02 0.15 -0.32 0.00 0.00 0.00 0.00 179.25 179.10 2js3 h ALA 27 N 1.56 0.71 0.05 0.00 0.00 -1.85 -3.15 119.26 116.58 2js3 h ALA 27 Ca 0.51 -0.42 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 2js3 h ALA 27 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2js3 h ALA 27 CO -0.30 0.66 -1.47 1.49 0.00 0.00 0.00 179.25 179.64 2js3 h GLU 28 N 0.72 0.11 -0.87 0.00 4.57 -1.39 -3.16 114.58 114.56 2js3 h GLU 28 Ca 0.08 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2js3 h GLU 28 Cb 0.88 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 2js3 h GLU 28 CO 0.08 0.90 0.57 0.22 -1.18 0.00 0.00 179.01 179.59 2js3 h ASP 29 N 0.03 1.00 0.26 1.04 3.58 -0.58 -1.58 116.42 120.17 2js3 h ASP 29 Ca -0.20 -0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.06 2js3 h ASP 29 Cb 1.95 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 2js3 h ASP 29 CO 0.12 0.73 -0.62 0.58 -2.88 0.00 0.00 179.24 177.18 2js3 h VAL 30 N 1.18 1.37 -0.69 2.25 2.07 -1.64 -3.16 116.25 117.62 2js3 h VAL 30 Ca 0.32 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2js3 h VAL 30 Cb -0.13 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2js3 h VAL 30 CO -0.07 0.59 0.40 0.03 0.02 0.00 0.00 177.57 178.54 2js3 h ARG 31 N 0.26 0.94 -0.40 1.57 3.08 -1.32 -2.64 114.38 115.87 2js3 h ARG 31 Ca -0.01 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.01 2js3 h ARG 31 Cb 1.14 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 2js3 h ARG 31 CO 0.10 0.69 0.27 0.87 -1.07 0.00 0.00 179.97 180.83 2js3 h LYS 32 N 0.94 0.28 -0.18 0.04 6.56 -1.28 0.16 116.57 123.08 2js3 h LYS 32 Ca 0.25 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.80 2js3 h LYS 32 Cb -0.00 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.59 2js3 h LYS 32 CO -0.04 0.18 0.05 0.82 -2.06 0.00 0.00 179.45 178.40 2js3 h ILE 33 N 0.28 1.20 -0.00 1.86 2.04 -1.55 -3.23 117.51 118.12 2js3 h ILE 33 Ca 0.18 -0.64 -0.19 0.00 1.00 0.00 0.00 64.86 65.20 2js3 h ILE 33 Cb 0.34 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2js3 h ILE 33 CO -0.04 0.20 -0.86 0.00 0.00 0.00 0.00 178.15 177.45 2js3 h ALA 34 N 0.86 0.54 -0.04 1.87 0.00 -1.20 -3.30 119.26 117.99 2js3 h ALA 34 Ca 0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 2js3 h ALA 34 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2js3 h ALA 34 CO 0.00 0.91 -0.08 1.79 0.00 0.00 0.00 179.25 181.87 2js3 h THR 35 N 0.11 1.08 0.00 0.00 1.35 -0.75 -1.16 112.91 113.54 2js3 h THR 35 Ca -0.04 -0.36 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 2js3 h THR 35 Cb 1.48 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2js3 h THR 35 CO 0.13 0.11 -0.16 0.00 -0.25 0.00 0.00 175.52 175.35 2js3 h ALA 36 N 1.87 1.70 -0.05 6.62 0.00 -1.63 -2.16 119.26 125.61 2js3 h ALA 36 Ca 0.01 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2js3 h ALA 36 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2js3 h ALA 36 CO 0.01 0.20 -0.67 -0.07 0.00 0.00 0.00 179.25 178.72 2js3 h LEU 37 N 0.00 0.27 -0.07 0.00 3.38 -1.40 -2.68 115.31 114.82 2js3 h LEU 37 Ca -0.00 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2js3 h LEU 37 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2js3 h LEU 37 CO 0.02 0.87 -0.71 -0.07 0.09 0.00 0.00 178.44 178.64 2js3 h LEU 38 N 0.16 0.00 0.31 1.67 4.07 -1.42 -3.08 115.31 117.03 2js3 h LEU 38 Ca -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 2js3 h LEU 38 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2js3 h LEU 38 CO 0.10 0.71 -0.15 0.50 -1.08 0.00 0.00 178.44 178.52 2js3 h LYS 39 N 0.00 -0.41 -1.32 1.13 3.64 -1.26 -3.44 116.57 114.91 2js3 h LYS 39 Ca -0.01 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 2js3 h LYS 39 Cb 1.52 0.09 -0.23 0.00 -0.41 0.00 0.00 32.23 33.20 2js3 h LYS 39 CO 0.09 -0.11 -0.53 -0.08 -2.27 0.00 0.00 179.45 176.55 2js3 s THR 40 N -3.55 -0.77 0.00 1.00 -1.32 -1.02 -4.93 115.64 105.04 2js3 s THR 40 Ca -0.11 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2js3 s THR 40 Cb 0.01 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 2js3 s THR 40 CO 0.37 -0.20 0.00 0.00 -2.21 0.00 0.00 174.62 172.58 2js3 n ALA 41 N 4.36 1.53 -2.22 11.08 0.00 -1.16 -4.79 120.51 129.32 2js3 n ALA 41 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2js3 n ALA 41 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2js3 n ALA 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2js3 s ILE 42 N -1.00 3.72 0.01 0.00 1.01 -1.26 -4.97 121.20 118.72 2js3 s ILE 42 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.74 2js3 s ILE 42 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2js3 s ILE 42 CO 0.00 -0.01 0.06 -0.70 0.00 0.00 0.00 174.94 174.29 2js3 s GLU 43 N 2.56 2.97 -0.21 2.79 2.56 -1.22 -4.97 118.70 123.18 2js3 s GLU 43 Ca 0.64 -0.54 -0.09 0.00 0.00 0.00 0.00 54.97 54.98 2js3 s GLU 43 Cb -0.31 -2.80 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 2js3 s GLU 43 CO 0.26 0.63 0.10 -1.50 -0.56 0.00 0.00 175.26 174.19 2js3 s ILE 44 N -1.20 4.95 -0.19 -3.70 -1.16 -1.26 -1.69 121.20 116.96 2js3 s ILE 44 Ca 0.23 0.03 -0.09 0.00 -0.51 0.00 0.00 60.65 60.32 2js3 s ILE 44 Cb -0.12 -3.28 -0.05 0.00 0.61 0.00 0.00 42.46 39.63 2js3 s ILE 44 CO 0.14 0.40 0.10 0.68 -2.81 0.00 0.00 174.94 173.45 2js3 s VAL 45 N 0.81 5.14 -0.12 4.00 -7.23 0.45 -4.92 120.40 118.53 2js3 s VAL 45 Ca 0.05 0.09 -0.08 0.00 -1.81 0.00 0.00 61.98 60.23 2js3 s VAL 45 Cb -0.13 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 2js3 s VAL 45 CO 0.02 0.45 0.16 -0.44 -0.31 0.00 0.00 175.10 174.99 2js3 s SER 46 N 0.34 6.40 0.44 4.85 0.01 -1.26 -0.29 113.70 124.19 2js3 s SER 46 Ca 0.06 0.48 0.05 0.00 1.31 0.00 0.00 55.95 57.86 2js3 s SER 46 Cb -0.12 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.04 2js3 s SER 46 CO -0.01 0.37 0.61 -1.61 0.41 0.00 0.00 173.24 173.01 2js3 s GLU 47 N -0.85 2.83 -0.04 12.44 0.41 -1.20 -4.99 118.70 127.30 2js3 s GLU 47 Ca 0.15 -1.02 -0.21 0.00 -0.41 0.00 0.00 54.97 53.48 2js3 s GLU 47 Cb -0.12 -2.69 -0.31 0.00 -1.78 0.00 0.00 34.13 29.22 2js3 s GLU 47 CO 0.04 -0.31 0.87 1.49 -0.49 0.00 0.00 175.26 176.86 2js3 h GLU 48 N 0.53 0.32 -3.17 1.61 4.81 -1.99 -3.43 114.58 113.26 2js3 h GLU 48 Ca -0.42 -0.55 -0.45 0.00 -0.13 0.00 0.00 59.36 57.81 2js3 h GLU 48 Cb 1.28 0.20 -0.40 0.00 0.63 0.00 0.00 28.75 30.46 2js3 h GLU 48 CO 0.49 1.26 -0.75 0.34 -0.73 0.00 0.00 179.01 179.62 2js3 s ASP 49 N -7.05 2.13 0.00 1.04 2.15 -1.26 -4.85 116.67 108.83 2js3 s ASP 49 Ca -0.14 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.37 2js3 s ASP 49 Cb 0.02 -0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 2js3 s ASP 49 CO 0.84 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 176.13 2js3 n GLY 50 N 5.26 0.94 0.00 2.66 0.00 -1.26 -5.13 105.19 107.66 2js3 n GLY 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.54 3.77 -0.02 0.00 -1.26 -5.02 105.19 105.19 2js3 n GLY 51 Ca 0.00 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.69 3.29 -0.04 4.61 0.00 -1.26 -3.23 121.76 122.45 2js3 s ALA 52 Ca 0.00 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.87 2js3 s ALA 52 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 2js3 s ALA 52 CO 0.00 -0.23 -0.15 -1.01 0.00 0.00 0.00 175.76 174.36 2js3 s HIS 53 N -1.32 1.55 -0.39 0.00 3.76 0.60 -4.62 115.29 114.86 2js3 s HIS 53 Ca 0.50 -0.43 -0.22 0.00 -0.15 0.00 0.00 55.06 54.76 2js3 s HIS 53 Cb -0.29 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.36 2js3 s HIS 53 CO 0.38 -0.15 0.70 1.21 -0.85 0.00 0.00 174.74 176.03 2js3 s ASN 54 N 0.07 6.43 -0.31 1.40 2.47 0.46 -0.41 114.94 125.04 2js3 s ASN 54 Ca -0.04 0.05 -0.06 0.00 0.42 0.00 0.00 52.86 53.23 2js3 s ASN 54 Cb -0.11 -2.35 0.02 0.00 -1.45 0.00 0.00 41.25 37.36 2js3 s ASN 54 CO 0.02 -0.73 0.08 -1.10 -3.72 0.00 0.00 177.10 171.65 2js3 s GLN 55 N 2.94 2.86 -0.84 0.43 -1.52 -0.68 -0.34 119.66 122.51 2js3 s GLN 55 Ca 0.27 -1.01 -0.20 0.00 -1.95 0.00 0.00 55.36 52.46 2js3 s GLN 55 Cb -0.14 -3.38 0.11 0.00 -0.22 0.00 0.00 33.01 29.38 2js3 s GLN 55 CO 0.18 -0.54 1.08 0.00 -0.25 0.00 0.00 175.29 175.76 2js3 n LYS 57 N 7.05 0.76 -0.08 0.00 0.00 -1.26 -0.88 118.16 123.76 2js3 n LYS 57 Ca 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.36 2js3 n LYS 57 Cb 0.48 -1.48 -0.06 0.00 -0.00 0.00 0.00 35.03 33.98 2js3 n LYS 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2js3 h LEU 58 N 0.00 0.00 0.00 -5.58 6.46 -1.96 -3.40 115.31 110.83 2js3 h LEU 58 Ca 0.00 -0.28 -0.29 0.00 -0.12 0.00 0.00 57.88 57.19 2js3 h LEU 58 Cb 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 2js3 h LEU 58 CO 0.00 0.94 -1.92 0.00 -0.62 0.00 0.00 178.44 176.84 2js3 n GLY 60 N 1.59 0.72 3.33 0.00 0.00 -0.06 -4.84 105.19 105.93 2js3 n GLY 60 Ca -0.21 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.70 2.37 -0.15 4.61 0.00 -1.05 -5.00 121.76 120.84 2js3 s ALA 61 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 2js3 s ALA 61 Cb 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2js3 s ALA 61 CO 0.00 0.40 0.10 0.45 0.00 0.00 0.00 175.76 176.71 2js3 s SER 62 N -0.12 6.04 -0.05 0.00 0.15 -1.26 -1.37 113.70 117.10 2js3 s SER 62 Ca -0.04 0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.94 2js3 s SER 62 Cb -0.14 -1.99 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 2js3 s SER 62 CO 0.04 0.28 -0.21 -0.69 1.20 0.00 0.00 173.24 173.86 2js3 s VAL 63 N -0.28 1.72 -2.00 4.45 1.01 0.54 -5.01 120.40 120.84 2js3 s VAL 63 Ca 0.10 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.25 2js3 s VAL 63 Cb -0.12 -1.46 0.16 0.00 0.00 0.00 0.00 36.38 34.96 2js3 s VAL 63 CO 0.01 0.49 0.78 -2.65 0.00 0.00 0.00 175.10 173.73 2js3 n PRO 64 N 3.00 0.19 -0.57 2.72 -0.02 -1.26 -0.41 135.00 138.65 2js3 n PRO 64 Ca -0.18 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.31 2js3 n PRO 64 Cb 0.52 -1.46 -0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2js3 n PRO 64 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2js3 n TRP 65 N -0.96 -1.57 0.00 6.00 -0.00 -1.26 -4.74 117.44 114.91 2js3 n TRP 65 Ca 0.04 0.85 0.00 0.00 -0.00 0.00 0.00 57.50 58.39 2js3 n TRP 65 Cb 0.02 -1.61 0.00 0.00 -0.00 0.00 0.00 31.31 29.72 2js3 n TRP 65 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2js3 n LEU 66 N -2.01 0.00 -4.68 5.87 -0.00 -1.26 -4.84 117.00 110.08 2js3 n LEU 66 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.58 2js3 n LEU 66 Cb 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.58 2js3 n LEU 66 CO 0.00 0.00 1.16 -1.58 -0.00 0.00 0.00 177.39 176.97 2js3 s GLN 67 N 0.00 4.26 0.39 1.96 0.74 -1.26 -4.90 119.66 120.84 2js3 s GLN 67 Ca 0.00 1.94 0.21 0.00 0.05 0.00 0.00 55.36 57.56 2js3 s GLN 67 Cb 0.00 -3.69 0.62 0.00 1.10 0.00 0.00 33.01 31.05 2js3 s GLN 67 CO 0.00 -0.65 1.70 0.00 -0.55 0.00 0.00 175.29 175.79 2js3 h THR 68 N 5.16 0.63 0.00 -0.34 1.03 -2.01 -3.43 112.91 113.95 2js3 h THR 68 Ca -0.36 -1.45 0.00 0.00 -0.01 0.00 0.00 66.41 64.59 2js3 h THR 68 Cb 1.16 1.98 0.00 0.00 -1.07 0.00 0.00 68.15 70.22 2js3 h THR 68 CO 0.92 0.29 0.00 0.61 -0.01 0.00 0.00 175.52 177.34 2js3 n GLY 69 N 0.52 0.93 3.03 2.99 0.00 -1.26 -4.14 105.19 107.25 2js3 n GLY 69 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -7.48 -3.56 1.61 2.03 -1.26 -4.20 116.55 103.69 2js3 n ASP 70 Ca 0.00 0.23 -0.37 0.00 0.52 0.00 0.00 54.79 55.17 2js3 n ASP 70 Cb 0.00 -4.76 0.03 0.00 -0.72 0.00 0.00 41.12 35.67 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 -0.78 -1.84 -1.57 -0.67 1.02 -1.26 -4.85 120.64 110.69 2js3 n GLU 71 Ca 0.04 1.28 -0.42 0.00 -0.02 0.00 0.00 57.16 58.04 2js3 n GLU 71 Cb 0.51 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2js3 n GLU 71 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2js3 n ILE 72 N -0.65 2.19 -1.60 -3.67 3.06 -1.26 -4.77 119.36 112.65 2js3 n ILE 72 Ca -0.14 -0.50 -0.48 0.00 -2.50 0.00 0.00 62.75 59.14 2js3 n ILE 72 Cb 0.69 -0.98 -0.05 0.00 0.54 0.00 0.00 39.64 39.84 2js3 n ILE 72 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2js3 n LYS 73 N 0.41 1.86 -1.69 9.51 3.00 -1.26 -4.92 118.16 125.07 2js3 n LYS 73 Ca 0.10 0.61 -0.31 0.00 -0.00 0.00 0.00 58.31 58.71 2js3 n LYS 73 Cb 0.37 -2.75 0.04 0.00 0.00 0.00 0.00 35.03 32.68 2js3 n LYS 73 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 2js3 s HIS 74 N 5.97 3.30 -0.12 5.64 -3.43 -1.26 -5.03 115.29 120.36 2js3 s HIS 74 Ca 0.99 1.35 -0.28 0.00 -0.80 0.00 0.00 55.06 56.32 2js3 s HIS 74 Cb -0.64 -2.84 -0.01 0.00 -1.43 0.00 0.00 32.58 27.66 2js3 s HIS 74 CO 0.47 -1.05 0.96 0.00 -2.00 0.00 0.00 174.74 173.12 2js3 s ALA 75 N -3.11 3.43 -0.76 -1.38 0.00 -1.26 -4.94 121.76 113.74 2js3 s ALA 75 Ca 0.57 0.29 0.26 0.00 0.00 0.00 0.00 51.96 53.09 2js3 s ALA 75 Cb -0.13 -3.38 0.90 0.00 0.00 0.00 0.00 23.12 20.51 2js3 s ALA 75 CO 0.55 -0.61 1.79 -3.47 0.00 0.00 0.00 175.76 174.02 2js3 n ASP 76 N 5.05 0.65 0.11 0.00 2.03 -1.26 -3.00 116.55 120.12 2js3 n ASP 76 Ca 0.08 0.57 0.01 0.00 0.52 0.00 0.00 54.79 55.97 2js3 n ASP 76 Cb 0.49 -0.74 -0.01 0.00 -0.72 0.00 0.00 41.12 40.14 2js3 n ASP 76 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2js3 h ASP 77 N 0.00 0.00 -3.96 1.67 3.58 -2.01 -3.47 116.42 112.23 2js3 h ASP 77 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2js3 h ASP 77 Cb 0.65 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2js3 h ASP 77 CO 0.00 0.55 0.35 0.00 -2.88 0.00 0.00 179.24 177.26 2js3 n PRO 79 N 0.03 0.20 0.15 0.00 -0.02 -1.26 -2.64 135.00 131.46 2js3 n PRO 79 Ca 0.04 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.57 2js3 n PRO 79 Cb 0.51 -1.48 0.49 0.00 -0.02 0.00 0.00 33.50 33.01 2js3 n PRO 79 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2js3 h VAL 80 N 0.00 1.10 -0.73 -1.45 2.07 -1.91 0.07 116.25 115.41 2js3 h VAL 80 Ca 0.00 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2js3 h VAL 80 Cb 0.00 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2js3 h VAL 80 CO 0.00 0.13 0.31 -0.37 0.02 0.00 0.00 177.57 177.66 2js3 h VAL 81 N 0.20 1.24 -0.05 2.57 -1.51 -1.79 -1.71 116.25 115.20 2js3 h VAL 81 Ca 0.05 -0.72 -0.25 0.00 -1.23 0.00 0.00 66.70 64.55 2js3 h VAL 81 Cb 0.16 0.35 0.01 0.00 -2.13 0.00 0.00 31.29 29.68 2js3 h VAL 81 CO 0.00 0.30 -0.94 0.40 -1.23 0.00 0.00 177.57 176.10 2js3 h ILE 82 N 1.04 1.30 -0.16 7.19 1.08 -1.51 -2.62 117.51 123.83 2js3 h ILE 82 Ca 0.25 -2.18 0.04 0.00 -0.39 0.00 0.00 64.86 62.58 2js3 h ILE 82 Cb 0.16 2.25 -0.05 0.00 -3.07 0.00 0.00 36.82 36.11 2js3 h ILE 82 CO -0.03 0.68 -0.13 0.00 -0.69 0.00 0.00 178.15 177.98 2js3 h ALA 83 N 0.52 -0.01 0.15 1.87 0.00 -0.75 -1.58 119.26 119.45 2js3 h ALA 83 Ca -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2js3 h ALA 83 Cb 1.58 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2js3 h ALA 83 CO 0.18 -0.57 -0.07 0.87 0.00 0.00 0.00 179.25 179.66 2js3 h LYS 84 N -0.14 -0.19 0.00 0.00 1.57 -1.36 -2.68 116.57 113.76 2js3 h LYS 84 Ca 0.10 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2js3 h LYS 84 Cb 0.29 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2js3 h LYS 84 CO -0.24 -0.09 -0.09 -0.56 -0.57 0.00 0.00 179.45 177.90 2js3 h GLN 85 N -0.25 0.00 0.01 3.15 3.07 -1.21 0.16 115.11 120.04 2js3 h GLN 85 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 2js3 h GLN 85 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2js3 h GLN 85 CO 0.03 0.09 -0.01 0.82 0.09 0.00 0.00 178.83 179.86 2js3 h ILE 86 N 0.00 1.52 0.00 1.86 2.04 -1.20 -3.23 117.51 118.50 2js3 h ILE 86 Ca -0.00 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2js3 h ILE 86 Cb 0.16 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2js3 h ILE 86 CO 0.01 0.45 -0.09 0.00 0.00 0.00 0.00 178.15 178.52 2js3 n LEU 87 N -4.73 0.23 -0.78 1.44 -0.00 -1.01 -3.27 117.00 108.88 2js3 n LEU 87 Ca -0.09 0.44 0.09 0.00 -0.00 0.00 0.00 56.01 56.45 2js3 n LEU 87 Cb 0.37 -0.43 0.24 0.00 -0.00 0.00 0.00 43.42 43.60 2js3 n LEU 87 CO 0.32 -0.02 0.69 -0.24 -0.00 0.00 0.00 177.39 178.14 2js3 n SER 88 N -1.65 3.66 -4.53 1.45 2.88 0.01 -4.90 113.62 110.54 2js3 n SER 88 Ca 0.06 -3.00 -0.42 0.00 -1.33 0.00 0.00 58.87 54.18 2js3 n SER 88 Cb 0.36 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 2js3 n SER 88 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2js3 s SER 89 N -2.03 6.58 0.25 -3.46 1.04 -1.20 -4.98 113.70 109.90 2js3 s SER 89 Ca 0.40 -1.74 -0.16 0.00 0.48 0.00 0.00 55.95 54.93 2js3 s SER 89 Cb 0.33 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.84 2js3 s SER 89 CO 0.08 -1.34 0.69 -0.13 0.98 0.00 0.00 173.24 173.52 2js3 s ARG 90 N 4.23 4.07 -0.33 4.02 0.52 -1.26 -4.99 118.95 125.21 2js3 s ARG 90 Ca 0.43 0.68 -0.28 0.00 -0.52 0.00 0.00 55.73 56.04 2js3 s ARG 90 Cb -0.01 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 2js3 s ARG 90 CO -0.08 0.30 2.05 -1.25 0.02 0.00 0.00 175.30 176.34 2js3 s PRO 91 N -2.47 3.04 0.00 3.54 0.04 -1.26 -4.85 135.00 133.03 2js3 s PRO 91 Ca 0.47 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2js3 s PRO 91 Cb -0.13 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2js3 s PRO 91 CO 0.19 -2.21 0.00 0.36 0.04 0.00 0.00 177.00 175.38 2js3 n LYS 92 N 8.70 0.00 0.16 4.56 2.85 -1.26 -5.07 118.16 128.09 2js3 n LYS 92 Ca 0.27 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.47 2js3 n LYS 92 Cb 0.47 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.82 2js3 n LYS 92 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2js3 h LEU 93 N 0.00 -0.40 -7.00 -5.58 -0.00 -2.03 -3.47 115.31 96.82 2js3 h LEU 93 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2js3 h LEU 93 Cb 0.00 0.11 -0.19 0.00 -0.00 0.00 0.00 40.66 40.58 2js3 h LEU 93 CO 0.00 -0.26 0.31 -2.28 -0.00 0.00 0.00 178.44 176.21 2js3 s HIS 94 N -3.97 -0.55 0.00 1.13 2.46 -1.26 -5.04 115.29 108.06 2js3 s HIS 94 Ca -0.06 0.87 -0.03 0.00 0.47 0.00 0.00 55.06 56.31 2js3 s HIS 94 Cb 0.01 0.44 -0.13 0.00 -0.13 0.00 0.00 32.58 32.77 2js3 s HIS 94 CO 0.20 -0.55 2.56 0.00 -2.47 0.00 0.00 174.74 174.48 2js3 n ALA 95 N 0.69 4.78 0.57 1.58 0.00 -1.26 -5.12 120.51 121.75 2js3 n ALA 95 Ca -0.16 -0.89 0.07 0.00 0.00 0.00 0.00 53.44 52.46 2js3 n ALA 95 Cb 0.58 -1.80 0.06 0.00 0.00 0.00 0.00 19.45 18.29 2js3 n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83