#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 -0.98 3.84 -5.12 0.00 -1.26 -4.95 105.19 96.73 2js3 n GLY 2 Ca 0.00 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 2js3 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2js3 s SER 3 N -2.79 6.50 0.21 1.61 1.04 -1.26 -5.10 113.70 113.92 2js3 s SER 3 Ca 0.00 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.03 2js3 s SER 3 Cb 0.00 -2.13 0.01 0.00 0.10 0.00 0.00 66.02 64.00 2js3 s SER 3 CO 0.00 0.34 0.09 -0.24 0.98 0.00 0.00 173.24 174.42 2js3 n SER 4 N 2.19 2.06 -3.47 7.02 2.88 -1.26 -5.14 113.62 117.90 2js3 n SER 4 Ca -0.17 -1.81 -0.16 0.00 -1.33 0.00 0.00 58.87 55.39 2js3 n SER 4 Cb 0.54 0.05 -0.12 0.00 -0.75 0.00 0.00 64.21 63.93 2js3 n SER 4 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2js3 s HIS 5 N -1.35 -0.38 -1.13 0.66 0.00 -1.26 -5.09 115.29 106.74 2js3 s HIS 5 Ca 0.07 0.36 -0.21 0.00 -3.00 0.00 0.00 55.06 52.29 2js3 s HIS 5 Cb -0.01 -0.28 0.07 0.00 -4.00 0.00 0.00 32.58 28.36 2js3 s HIS 5 CO 0.05 -0.62 1.54 -1.01 -1.00 0.00 0.00 174.74 173.70 2js3 s HIS 6 N 2.37 2.69 -0.05 0.38 0.09 -1.26 -4.94 115.29 114.57 2js3 s HIS 6 Ca 0.08 -1.21 0.04 0.00 -0.00 0.00 0.00 55.06 53.97 2js3 s HIS 6 Cb -0.16 -4.69 -0.02 0.00 -0.00 0.00 0.00 32.58 27.71 2js3 s HIS 6 CO -0.13 -1.85 -0.16 -1.58 -0.00 0.00 0.00 174.74 171.02 2js3 s HIS 7 N 4.46 2.64 -0.28 1.40 5.65 -1.26 -5.13 115.29 122.78 2js3 s HIS 7 Ca 0.48 -0.24 -0.22 0.00 0.25 0.00 0.00 55.06 55.34 2js3 s HIS 7 Cb 0.01 -1.62 0.08 0.00 -1.18 0.00 0.00 32.58 29.88 2js3 s HIS 7 CO -0.03 0.12 0.77 -3.38 -0.65 0.00 0.00 174.74 171.57 2js3 s HIS 8 N -0.65 -0.82 0.91 3.88 -0.00 -1.26 -5.17 115.29 112.17 2js3 s HIS 8 Ca 0.10 1.85 -0.14 0.00 -0.00 0.00 0.00 55.06 56.87 2js3 s HIS 8 Cb -0.11 0.40 0.21 0.00 -0.00 0.00 0.00 32.58 33.08 2js3 s HIS 8 CO 0.01 -0.40 1.24 0.72 -0.00 0.00 0.00 174.74 176.30 2js3 n HIS 9 N 3.21 -3.85 -3.22 0.38 -0.00 -1.26 -5.07 115.22 105.41 2js3 n HIS 9 Ca -0.16 -1.21 -0.38 0.00 -0.00 0.00 0.00 57.72 55.97 2js3 n HIS 9 Cb 0.57 -0.95 -0.06 0.00 -0.00 0.00 0.00 29.99 29.55 2js3 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2js3 s HIS 10 N -3.69 3.75 -1.26 4.41 0.09 -1.26 -4.99 115.29 112.34 2js3 s HIS 10 Ca 0.71 1.30 -0.08 0.00 -0.00 0.00 0.00 55.06 57.00 2js3 s HIS 10 Cb -0.02 -2.53 0.18 0.00 -0.00 0.00 0.00 32.58 30.20 2js3 s HIS 10 CO 0.50 0.50 1.93 0.43 -0.00 0.00 0.00 174.74 178.10 2js3 n SER 11 N 1.31 5.83 -4.57 1.40 7.64 -1.26 -4.95 113.62 119.02 2js3 n SER 11 Ca -0.07 -3.16 -0.41 0.00 1.01 0.00 0.00 58.87 56.24 2js3 n SER 11 Cb 0.51 -1.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 2js3 n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2js3 s SER 12 N 0.43 6.00 0.17 6.43 0.15 -1.26 -4.96 113.70 120.66 2js3 s SER 12 Ca 0.41 0.26 0.02 0.00 0.70 0.00 0.00 55.95 57.34 2js3 s SER 12 Cb 0.11 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 2js3 s SER 12 CO -0.01 -1.82 0.01 -0.83 1.20 0.00 0.00 173.24 171.79 2js3 s GLY 13 N 4.96 1.21 -0.16 9.45 0.00 -1.26 -5.15 107.32 116.37 2js3 s GLY 13 Ca 0.54 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.68 2js3 s GLY 13 CO 0.24 -1.52 -0.17 1.09 0.00 0.00 0.00 173.10 172.74 2js3 s ARG 14 N -3.93 3.14 -0.83 2.90 1.70 -1.26 -5.07 118.95 115.61 2js3 s ARG 14 Ca 0.24 -0.78 -0.22 0.00 -0.47 0.00 0.00 55.73 54.50 2js3 s ARG 14 Cb 0.06 -2.60 0.08 0.00 -0.57 0.00 0.00 34.95 31.93 2js3 s ARG 14 CO 0.04 -0.05 1.15 -1.21 -1.08 0.00 0.00 175.30 174.15 2js3 s GLU 15 N 0.95 3.39 0.16 3.89 0.41 -1.26 -4.84 118.70 121.40 2js3 s GLU 15 Ca -0.03 -1.16 -0.16 0.00 -0.41 0.00 0.00 54.97 53.20 2js3 s GLU 15 Cb -0.15 -4.69 0.06 0.00 -1.78 0.00 0.00 34.13 27.57 2js3 s GLU 15 CO -0.03 -1.91 0.79 0.27 -0.49 0.00 0.00 175.26 173.89 2js3 n ASN 16 N 7.68 -1.42 -3.49 -0.19 0.23 -1.26 -5.03 115.26 111.78 2js3 n ASN 16 Ca 0.14 -1.78 -0.40 0.00 -0.53 0.00 0.00 54.58 52.00 2js3 n ASN 16 Cb 0.48 2.32 -0.02 0.00 -2.08 0.00 0.00 39.78 40.48 2js3 n ASN 16 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2js3 n LEU 17 N 0.00 7.97 0.00 -4.53 4.77 -1.26 -4.63 117.00 119.32 2js3 n LEU 17 Ca -0.02 -4.28 0.13 0.00 -0.03 0.00 0.00 56.01 51.80 2js3 n LEU 17 Cb 0.46 -1.60 0.67 0.00 -2.33 0.00 0.00 43.42 40.62 2js3 n LEU 17 CO 0.17 1.67 0.94 0.00 -1.33 0.00 0.00 177.39 178.85 2js3 n TYR 18 N 4.61 0.00 0.23 -1.77 0.18 -1.26 -2.51 117.16 116.64 2js3 n TYR 18 Ca 0.67 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.57 2js3 n TYR 18 Cb 0.30 -0.26 0.41 0.00 -0.38 0.00 0.00 39.34 39.41 2js3 n TYR 18 CO 0.00 0.00 0.00 0.74 -2.08 0.00 0.00 176.86 175.52 2js3 h PHE 19 N 0.00 0.00 0.01 -3.48 0.04 -1.99 -3.10 116.94 108.43 2js3 h PHE 19 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2js3 h PHE 19 Cb 0.22 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.38 2js3 h PHE 19 CO 0.00 0.13 -0.24 1.96 -0.60 0.00 0.00 178.31 179.57 2js3 h GLN 20 N 0.00 0.14 -2.26 1.51 4.20 -1.89 -3.30 115.11 113.51 2js3 h GLN 20 Ca -0.00 -0.17 -0.60 0.00 0.06 0.00 0.00 58.65 57.95 2js3 h GLN 20 Cb 0.81 0.05 -0.15 0.00 0.30 0.00 0.00 27.48 28.49 2js3 h GLN 20 CO 0.02 0.95 1.23 0.41 -0.67 0.00 0.00 178.83 180.77 2js3 n GLY 21 N 1.19 4.69 3.63 3.46 0.00 -1.20 -4.94 105.19 112.02 2js3 n GLY 21 Ca -0.10 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.43 2.68 -0.24 1.61 0.00 -1.18 -4.96 119.30 115.78 2js3 s MET 22 Ca 0.57 -0.65 -0.03 0.00 0.00 0.00 0.00 55.69 55.59 2js3 s MET 22 Cb 0.30 -2.59 0.12 0.00 0.00 0.00 0.00 34.83 32.66 2js3 s MET 22 CO -0.17 0.62 0.31 -0.08 0.00 0.00 0.00 175.02 175.70 2js3 s THR 23 N -1.00 -0.47 0.00 10.11 -1.32 -1.26 -5.09 115.64 116.62 2js3 s THR 23 Ca 0.17 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2js3 s THR 23 Cb -0.11 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 2js3 s THR 23 CO 0.07 -0.22 0.00 -0.67 -2.21 0.00 0.00 174.62 171.59 2js3 n ASP 24 N 5.34 -5.34 0.00 8.08 -0.08 -1.26 -4.80 116.55 118.49 2js3 n ASP 24 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2js3 n ASP 24 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2js3 n ASP 24 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2js3 n THR 25 N -1.58 0.00 -0.13 5.18 -1.04 -1.26 -4.60 114.28 110.85 2js3 n THR 25 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2js3 n THR 25 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2js3 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2js3 h ALA 26 N 0.00 0.50 0.00 2.41 0.00 -2.00 -1.90 119.26 118.27 2js3 h ALA 26 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2js3 h ALA 26 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2js3 h ALA 26 CO 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 179.25 178.92 2js3 h ALA 27 N 1.24 1.64 -0.12 0.00 0.00 -1.98 -0.45 119.26 119.58 2js3 h ALA 27 Ca 0.18 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2js3 h ALA 27 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2js3 h ALA 27 CO -0.15 0.18 -0.02 0.93 0.00 0.00 0.00 179.25 180.19 2js3 h GLU 28 N 0.00 0.01 0.00 0.00 5.08 -1.71 -1.26 114.58 116.70 2js3 h GLU 28 Ca -0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2js3 h GLU 28 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2js3 h GLU 28 CO 0.02 0.01 -1.25 -0.44 -1.00 0.00 0.00 179.01 176.35 2js3 h ASP 29 N 0.01 0.00 -0.82 1.42 3.32 -1.50 -3.32 116.42 115.53 2js3 h ASP 29 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2js3 h ASP 29 Cb 0.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2js3 h ASP 29 CO -0.12 0.51 0.52 0.58 -1.72 0.00 0.00 179.24 179.01 2js3 h VAL 30 N 0.00 1.22 0.00 -1.35 2.07 -0.95 -1.32 116.25 115.92 2js3 h VAL 30 Ca -0.13 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2js3 h VAL 30 Cb 1.50 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2js3 h VAL 30 CO 0.04 0.22 -0.08 0.03 0.02 0.00 0.00 177.57 177.80 2js3 h ARG 31 N 1.13 0.00 0.28 1.57 3.08 -1.32 -0.30 114.38 118.81 2js3 h ARG 31 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2js3 h ARG 31 Cb -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2js3 h ARG 31 CO -0.06 0.08 -0.31 0.87 -1.07 0.00 0.00 179.97 179.48 2js3 h LYS 32 N 0.00 -0.61 -0.05 0.04 6.56 -1.36 0.85 116.57 122.00 2js3 h LYS 32 Ca -0.00 0.04 -0.19 0.00 -1.06 0.00 0.00 60.65 59.44 2js3 h LYS 32 Cb 0.16 0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2js3 h LYS 32 CO 0.01 -0.41 -0.78 -0.84 -2.06 0.00 0.00 179.45 175.38 2js3 h ILE 33 N -0.63 1.40 -0.79 1.86 3.07 -1.52 -2.52 117.51 118.39 2js3 h ILE 33 Ca -0.01 -2.26 -0.05 0.00 1.55 0.00 0.00 64.86 64.09 2js3 h ILE 33 Cb 0.59 2.21 -0.03 0.00 -0.27 0.00 0.00 36.82 39.32 2js3 h ILE 33 CO -0.08 0.67 0.30 0.00 -1.05 0.00 0.00 178.15 177.99 2js3 h ALA 34 N 0.93 1.03 -0.06 0.16 0.00 -0.93 -1.77 119.26 118.62 2js3 h ALA 34 Ca -0.04 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 2js3 h ALA 34 Cb 1.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2js3 h ALA 34 CO 0.13 0.67 -0.81 1.15 0.00 0.00 0.00 179.25 180.39 2js3 h THR 35 N 1.15 1.37 0.02 0.00 2.02 -0.83 -2.87 112.91 113.78 2js3 h THR 35 Ca 0.26 -2.21 0.01 0.00 0.77 0.00 0.00 66.41 65.24 2js3 h THR 35 Cb 0.24 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2js3 h THR 35 CO -0.02 0.67 -0.05 0.00 0.37 0.00 0.00 175.52 176.49 2js3 h ALA 36 N 0.81 -0.07 0.00 6.16 0.00 -1.06 -0.68 119.26 124.42 2js3 h ALA 36 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2js3 h ALA 36 Cb 1.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2js3 h ALA 36 CO 0.14 -0.55 -0.23 1.37 0.00 0.00 0.00 179.25 179.98 2js3 h LEU 37 N -0.10 0.00 -0.05 0.00 8.10 -1.40 -0.92 115.31 120.93 2js3 h LEU 37 Ca 0.01 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.75 2js3 h LEU 37 Cb 0.12 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2js3 h LEU 37 CO -0.04 0.23 -1.07 0.25 -4.11 0.00 0.00 178.44 173.70 2js3 h LEU 38 N 0.00 0.56 0.10 0.17 6.46 -1.21 -3.26 115.31 118.13 2js3 h LEU 38 Ca -0.00 -0.49 -0.24 0.00 -0.12 0.00 0.00 57.88 57.02 2js3 h LEU 38 Cb 0.70 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2js3 h LEU 38 CO 0.03 1.32 -1.23 0.11 -0.62 0.00 0.00 178.44 178.04 2js3 h LYS 39 N 0.20 0.22 -1.09 1.25 1.57 -0.91 -3.45 116.57 114.36 2js3 h LYS 39 Ca -0.11 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 2js3 h LYS 39 Cb 1.73 0.14 -0.20 0.00 0.08 0.00 0.00 32.23 33.98 2js3 h LYS 39 CO 0.19 1.18 -0.47 0.99 -0.57 0.00 0.00 179.45 180.77 2js3 s THR 40 N -2.45 -0.94 0.00 -0.16 2.01 -0.37 -4.95 115.64 108.79 2js3 s THR 40 Ca -0.20 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2js3 s THR 40 Cb 0.04 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.42 2js3 s THR 40 CO 0.76 -0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.63 2js3 n ALA 41 N 4.47 1.78 -2.19 7.40 0.00 -1.23 -4.54 120.51 126.21 2js3 n ALA 41 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 2js3 n ALA 41 Cb 0.56 0.17 0.01 0.00 0.00 0.00 0.00 19.45 20.19 2js3 n ALA 41 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2js3 s ILE 42 N -1.78 2.23 0.04 0.00 -5.25 -1.26 -5.08 121.20 110.09 2js3 s ILE 42 Ca 0.00 -1.23 0.03 0.00 -0.99 0.00 0.00 60.65 58.46 2js3 s ILE 42 Cb 0.00 -2.47 -0.04 0.00 2.95 0.00 0.00 42.46 42.91 2js3 s ILE 42 CO 0.00 0.00 -0.01 -1.83 -1.79 0.00 0.00 174.94 171.31 2js3 s GLU 43 N -4.38 2.62 -0.22 0.37 1.03 -1.26 -5.03 118.70 111.84 2js3 s GLU 43 Ca 0.49 -0.74 -0.04 0.00 0.03 0.00 0.00 54.97 54.72 2js3 s GLU 43 Cb -0.05 -2.57 -0.01 0.00 -0.80 0.00 0.00 34.13 30.70 2js3 s GLU 43 CO 0.30 0.58 -0.05 -1.50 -1.33 0.00 0.00 175.26 173.26 2js3 s ILE 44 N -1.17 3.34 -0.26 1.83 -1.16 -1.26 -2.76 121.20 119.76 2js3 s ILE 44 Ca 0.22 -0.51 -0.10 0.00 -0.51 0.00 0.00 60.65 59.75 2js3 s ILE 44 Cb -0.11 -2.51 -0.05 0.00 0.61 0.00 0.00 42.46 40.39 2js3 s ILE 44 CO 0.13 0.43 0.17 0.68 -2.81 0.00 0.00 174.94 173.54 2js3 s VAL 45 N 1.43 5.24 0.48 4.00 -7.23 0.63 -4.89 120.40 120.05 2js3 s VAL 45 Ca 0.05 0.14 -0.17 0.00 -1.81 0.00 0.00 61.98 60.19 2js3 s VAL 45 Cb -0.14 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 33.24 2js3 s VAL 45 CO -0.03 0.30 0.96 -0.94 -0.31 0.00 0.00 175.10 175.07 2js3 s SER 46 N 1.45 6.70 1.15 4.85 1.04 -1.26 0.02 113.70 127.64 2js3 s SER 46 Ca 0.07 1.56 -0.19 0.00 0.48 0.00 0.00 55.95 57.88 2js3 s SER 46 Cb -0.15 -2.50 0.27 0.00 0.10 0.00 0.00 66.02 63.74 2js3 s SER 46 CO 0.08 -0.51 1.16 -1.61 0.98 0.00 0.00 173.24 173.34 2js3 s GLU 47 N -3.80 -0.84 0.18 4.02 2.02 -0.39 -4.88 118.70 115.00 2js3 s GLU 47 Ca 0.59 -0.16 -0.17 0.00 0.02 0.00 0.00 54.97 55.24 2js3 s GLU 47 Cb -0.10 -1.65 0.12 0.00 0.10 0.00 0.00 34.13 32.60 2js3 s GLU 47 CO 0.26 -3.44 1.64 1.49 0.02 0.00 0.00 175.26 175.24 2js3 h GLU 48 N -2.38 -0.07 -0.42 1.61 4.57 -1.98 -3.42 114.58 112.50 2js3 h GLU 48 Ca -0.44 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 57.95 2js3 h GLU 48 Cb 1.28 0.02 -0.21 0.00 -0.16 0.00 0.00 28.75 29.68 2js3 h GLU 48 CO 0.34 -0.04 0.04 0.34 -1.18 0.00 0.00 179.01 178.51 2js3 s ASP 49 N -5.18 -0.60 0.00 1.04 2.15 -1.26 -5.08 116.67 107.74 2js3 s ASP 49 Ca -0.14 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.14 2js3 s ASP 49 Cb 0.15 1.48 0.00 0.00 -0.30 0.00 0.00 42.92 44.25 2js3 s ASP 49 CO 0.71 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 176.21 2js3 n GLY 50 N 5.41 -1.68 0.00 2.66 0.00 -1.26 -5.15 105.19 105.17 2js3 n GLY 50 Ca -0.03 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 6.44 3.14 -0.02 0.00 -1.26 -4.98 105.19 108.52 2js3 n GLY 51 Ca 0.00 -2.05 -0.10 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 -0.28 -0.19 4.61 0.00 -1.26 -1.27 121.76 121.37 2js3 s ALA 52 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 2js3 s ALA 52 Cb 0.00 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.40 2js3 s ALA 52 CO 0.00 -0.30 0.02 -1.01 0.00 0.00 0.00 175.76 174.46 2js3 s HIS 53 N -2.22 1.21 -0.32 0.00 3.76 0.10 -4.42 115.29 113.41 2js3 s HIS 53 Ca -0.08 -0.94 -0.10 0.00 -0.15 0.00 0.00 55.06 53.79 2js3 s HIS 53 Cb -0.03 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 2js3 s HIS 53 CO -0.02 -0.61 0.17 1.21 -0.85 0.00 0.00 174.74 174.64 2js3 s ASN 54 N 1.80 5.66 0.23 1.40 3.04 -0.78 -0.27 114.94 126.01 2js3 s ASN 54 Ca -0.01 -0.54 0.08 0.00 0.04 0.00 0.00 52.86 52.43 2js3 s ASN 54 Cb -0.17 -2.03 -0.04 0.00 -1.54 0.00 0.00 41.25 37.47 2js3 s ASN 54 CO -0.08 -0.21 0.06 -1.10 -3.04 0.00 0.00 177.10 172.73 2js3 s GLN 55 N 1.63 2.53 -0.30 0.43 1.11 -1.11 -0.37 119.66 123.58 2js3 s GLN 55 Ca 0.05 -1.20 0.03 0.00 0.01 0.00 0.00 55.36 54.24 2js3 s GLN 55 Cb -0.17 -2.35 0.08 0.00 -1.01 0.00 0.00 33.01 29.56 2js3 s GLN 55 CO 0.07 0.41 0.00 0.00 0.01 0.00 0.00 175.29 175.78 2js3 n LYS 57 N 4.42 3.71 0.12 0.00 5.02 -1.26 -3.74 118.16 126.43 2js3 n LYS 57 Ca -0.03 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 2js3 n LYS 57 Cb 0.42 -2.86 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 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 3.71 -2.18 -1.00 -0.35 7.94 -1.26 -4.96 117.00 118.89 2js3 n LEU 58 Ca 0.70 0.50 0.06 0.00 -1.11 0.00 0.00 56.01 56.16 2js3 n LEU 58 Cb 0.27 2.24 0.21 0.00 0.53 0.00 0.00 43.42 46.67 2js3 n LEU 58 CO 0.84 -0.02 0.66 0.00 -1.11 0.00 0.00 177.39 177.75 2js3 n GLY 60 N 0.94 -0.86 3.07 0.00 0.00 -1.25 -4.12 105.19 102.98 2js3 n GLY 60 Ca 0.16 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.40 -0.18 0.03 4.61 0.00 -1.25 -4.90 121.76 116.67 2js3 s ALA 61 Ca 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 2js3 s ALA 61 Cb -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 2js3 s ALA 61 CO 0.75 -0.20 0.09 -1.12 0.00 0.00 0.00 175.76 175.27 2js3 s SER 62 N -1.46 0.17 -0.01 0.00 0.01 -1.26 -0.93 113.70 110.23 2js3 s SER 62 Ca -0.15 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2js3 s SER 62 Cb -0.08 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 2js3 s SER 62 CO 0.01 -0.47 -0.09 0.54 0.41 0.00 0.00 173.24 173.64 2js3 s VAL 63 N -2.33 0.71 -2.00 3.43 0.11 0.51 -5.00 120.40 115.82 2js3 s VAL 63 Ca -0.07 -0.37 0.13 0.00 -2.93 0.00 0.00 61.98 58.73 2js3 s VAL 63 Cb -0.03 -0.60 0.36 0.00 -1.53 0.00 0.00 36.38 34.58 2js3 s VAL 63 CO -0.03 0.20 1.19 -0.81 -3.33 0.00 0.00 175.10 172.32 2js3 n PRO 64 N 2.94 0.40 -0.78 1.54 -0.04 -1.26 -1.87 135.00 135.93 2js3 n PRO 64 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2js3 n PRO 64 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2js3 n PRO 64 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2js3 n TRP 65 N -1.00 -2.13 0.00 0.54 -0.00 -1.26 -4.57 117.44 109.02 2js3 n TRP 65 Ca 0.10 1.15 0.00 0.00 -0.00 0.00 0.00 57.50 58.75 2js3 n TRP 65 Cb 0.04 -2.05 0.00 0.00 -0.00 0.00 0.00 31.31 29.31 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 -2.02 0.00 -0.23 5.87 7.94 -1.26 -4.56 117.00 122.75 2js3 n LEU 66 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2js3 n LEU 66 Cb 0.23 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.23 2js3 n LEU 66 CO 0.00 0.00 1.14 -0.61 -1.11 0.00 0.00 177.39 176.81 2js3 h GLN 67 N 0.00 0.84 -2.66 1.96 -0.00 -1.99 -3.45 115.11 109.81 2js3 h GLN 67 Ca 0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.64 2js3 h GLN 67 Cb 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 27.48 27.15 2js3 h GLN 67 CO 0.00 0.55 0.34 -0.08 0.00 0.00 0.00 178.83 179.64 2js3 s THR 68 N -6.14 0.00 -0.12 2.39 -1.32 -1.26 -5.04 115.64 104.14 2js3 s THR 68 Ca -0.13 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 2js3 s THR 68 Cb 0.14 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.20 2js3 s THR 68 CO 0.76 0.00 1.05 0.61 -2.21 0.00 0.00 174.62 174.83 2js3 n GLY 69 N -0.29 3.16 0.00 6.08 0.00 -1.26 -4.53 105.19 108.35 2js3 n GLY 69 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.47 0.00 -0.89 1.61 2.03 -1.26 -4.88 116.55 112.69 2js3 n ASP 70 Ca 0.03 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 2js3 n ASP 70 Cb 0.32 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.67 2js3 n ASP 70 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2js3 n GLU 71 N 0.00 -1.60 -2.53 -0.67 0.28 -1.26 -4.88 120.64 109.98 2js3 n GLU 71 Ca 0.00 0.72 -0.41 0.00 -0.16 0.00 0.00 57.16 57.31 2js3 n GLU 71 Cb 0.00 -4.90 -0.02 0.00 1.43 0.00 0.00 31.44 27.96 2js3 n GLU 71 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2js3 s ILE 72 N -1.72 4.00 -0.05 3.84 -1.09 -1.26 -4.56 121.20 120.36 2js3 s ILE 72 Ca 0.00 -1.41 0.24 0.00 -2.23 0.00 0.00 60.65 57.26 2js3 s ILE 72 Cb 0.00 -5.08 0.44 0.00 -1.58 0.00 0.00 42.46 36.24 2js3 s ILE 72 CO 0.00 -1.91 1.17 1.17 -1.23 0.00 0.00 174.94 174.14 2js3 n LYS 73 N 8.58 0.36 0.00 2.79 0.00 -1.26 -4.86 118.16 123.77 2js3 n LYS 73 Ca 0.43 -2.30 0.11 0.00 0.00 0.00 0.00 58.31 56.56 2js3 n LYS 73 Cb 0.48 -0.33 0.64 0.00 0.00 0.00 0.00 35.03 35.82 2js3 n LYS 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2js3 n HIS 74 N 0.24 0.00 -3.74 5.64 -0.00 -1.26 -4.62 115.22 111.47 2js3 n HIS 74 Ca 0.08 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.12 2js3 n HIS 74 Cb 1.07 -0.12 -0.09 0.00 -0.12 0.00 0.00 29.99 30.74 2js3 n HIS 74 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2js3 s ALA 75 N -2.23 -0.88 -0.03 1.57 0.00 -1.26 -4.95 121.76 113.97 2js3 s ALA 75 Ca 0.29 0.54 0.13 0.00 0.00 0.00 0.00 51.96 52.93 2js3 s ALA 75 Cb 0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 23.12 23.01 2js3 s ALA 75 CO 0.30 -0.25 0.25 -3.47 0.00 0.00 0.00 175.76 172.59 2js3 n ASP 76 N 1.57 1.99 -0.20 0.00 2.03 -1.26 -4.51 116.55 116.16 2js3 n ASP 76 Ca -0.20 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.24 2js3 n ASP 76 Cb 0.56 1.48 0.30 0.00 -0.72 0.00 0.00 41.12 42.74 2js3 n ASP 76 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2js3 n ASP 77 N -2.03 0.98 -4.72 1.67 5.75 -1.26 -4.27 116.55 112.66 2js3 n ASP 77 Ca -0.05 -0.80 -0.42 0.00 -0.01 0.00 0.00 54.79 53.52 2js3 n ASP 77 Cb 0.43 0.22 -0.04 0.00 -1.03 0.00 0.00 41.12 40.71 2js3 n ASP 77 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2js3 h PRO 79 N 6.06 0.30 -0.65 0.00 0.11 -1.97 0.16 132.00 136.00 2js3 h PRO 79 Ca -0.42 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.70 2js3 h PRO 79 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2js3 h PRO 79 CO 0.75 0.20 0.40 0.28 -0.21 0.00 0.00 178.00 179.42 2js3 h VAL 80 N 0.31 1.07 -0.06 3.15 2.07 -1.97 -1.72 116.25 119.10 2js3 h VAL 80 Ca 0.50 -0.27 -0.20 0.00 0.82 0.00 0.00 66.70 67.56 2js3 h VAL 80 Cb 0.93 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2js3 h VAL 80 CO -0.55 0.14 -0.79 0.58 0.02 0.00 0.00 177.57 176.97 2js3 h VAL 81 N 0.78 1.39 -0.62 2.57 2.07 -1.24 -3.07 116.25 118.13 2js3 h VAL 81 Ca 0.27 -2.24 0.11 0.00 0.82 0.00 0.00 66.70 65.65 2js3 h VAL 81 Cb 0.04 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 2js3 h VAL 81 CO -0.12 0.67 0.20 0.40 0.02 0.00 0.00 177.57 178.74 2js3 h ILE 82 N 0.26 0.71 -0.67 4.57 1.08 -0.31 -0.14 117.51 123.01 2js3 h ILE 82 Ca -0.04 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 2js3 h ILE 82 Cb 1.38 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 2js3 h ILE 82 CO 0.14 0.06 0.44 0.00 -0.69 0.00 0.00 178.15 178.10 2js3 h ALA 83 N 1.45 1.61 -0.40 1.87 0.00 -1.23 -1.52 119.26 121.05 2js3 h ALA 83 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2js3 h ALA 83 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2js3 h ALA 83 CO -0.35 0.32 0.09 0.87 0.00 0.00 0.00 179.25 180.18 2js3 h LYS 84 N 0.82 0.64 -0.73 0.00 1.57 -1.00 -0.04 116.57 117.83 2js3 h LYS 84 Ca 0.27 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2js3 h LYS 84 Cb 0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2js3 h LYS 84 CO -0.07 0.67 0.49 1.96 -0.57 0.00 0.00 179.45 181.92 2js3 h GLN 85 N 0.50 0.92 -0.10 3.15 7.50 -0.56 -2.31 115.11 124.21 2js3 h GLN 85 Ca 0.12 -0.06 -0.06 0.00 0.50 0.00 0.00 58.65 59.16 2js3 h GLN 85 Cb 0.32 -0.21 -0.00 0.00 0.05 0.00 0.00 27.48 27.64 2js3 h GLN 85 CO 0.00 0.61 -0.16 0.82 -1.50 0.00 0.00 178.83 178.60 2js3 h ILE 86 N 0.95 1.38 0.00 2.54 2.04 -0.84 -3.22 117.51 120.36 2js3 h ILE 86 Ca 0.28 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2js3 h ILE 86 Cb -0.03 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2js3 h ILE 86 CO -0.07 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.48 2js3 n LEU 87 N -4.58 0.62 -2.74 1.44 -0.00 -0.07 -3.95 117.00 107.72 2js3 n LEU 87 Ca -0.07 0.63 -0.26 0.00 -0.00 0.00 0.00 56.01 56.30 2js3 n LEU 87 Cb 0.38 -0.51 -0.09 0.00 -0.00 0.00 0.00 43.42 43.20 2js3 n LEU 87 CO 0.39 -0.43 2.56 -1.20 -0.00 0.00 0.00 177.39 178.70 2js3 n SER 88 N -2.16 6.95 -4.62 1.45 7.64 -0.88 -4.89 113.62 117.12 2js3 n SER 88 Ca 0.03 -2.50 -0.43 0.00 1.01 0.00 0.00 58.87 56.98 2js3 n SER 88 Cb 0.27 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 2js3 n SER 88 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2js3 s SER 89 N 2.18 6.57 0.22 6.43 0.01 -1.25 -5.01 113.70 122.84 2js3 s SER 89 Ca 0.66 0.99 -0.22 0.00 1.31 0.00 0.00 55.95 58.68 2js3 s SER 89 Cb 0.23 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.84 2js3 s SER 89 CO -0.03 -1.21 0.77 0.00 0.41 0.00 0.00 173.24 173.18 2js3 s ARG 90 N 4.43 4.39 0.56 12.44 1.70 -1.26 -5.03 118.95 136.18 2js3 s ARG 90 Ca 0.56 1.02 -0.21 0.00 -0.47 0.00 0.00 55.73 56.63 2js3 s ARG 90 Cb -0.14 -2.99 -0.04 0.00 -0.57 0.00 0.00 34.95 31.20 2js3 s ARG 90 CO 0.27 0.44 1.32 -2.14 -1.08 0.00 0.00 175.30 174.11 2js3 s PRO 91 N -1.71 3.07 0.16 3.89 0.02 -1.26 -4.98 135.00 134.18 2js3 s PRO 91 Ca 0.41 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 2js3 s PRO 91 Cb -0.19 -2.17 -0.07 0.00 0.02 0.00 0.00 34.50 32.09 2js3 s PRO 91 CO 0.23 -1.22 1.06 0.15 -0.33 0.00 0.00 177.00 176.89 2js3 s LYS 92 N -3.01 4.63 0.29 5.54 1.02 -1.26 -5.04 119.74 121.91 2js3 s LYS 92 Ca 0.73 1.64 -0.04 0.00 0.02 0.00 0.00 55.97 58.32 2js3 s LYS 92 Cb -0.38 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.57 2js3 s LYS 92 CO 0.44 0.12 0.55 -0.48 -0.92 0.00 0.00 175.35 175.06 2js3 s LEU 93 N -0.25 4.05 -0.46 3.17 -0.00 -1.26 -5.05 118.68 118.88 2js3 s LEU 93 Ca 0.49 0.68 -0.16 0.00 -0.00 0.00 0.00 54.13 55.15 2js3 s LEU 93 Cb -0.28 -3.51 0.06 0.00 -0.00 0.00 0.00 46.19 42.47 2js3 s LEU 93 CO 0.33 -0.21 0.39 -2.28 -0.00 0.00 0.00 176.35 174.59 2js3 s HIS 94 N -2.11 3.23 -0.28 3.48 2.46 -1.26 -5.04 115.29 115.77 2js3 s HIS 94 Ca 0.43 -0.84 -0.23 0.00 0.47 0.00 0.00 55.06 54.90 2js3 s HIS 94 Cb -0.11 -3.08 -0.01 0.00 -0.13 0.00 0.00 32.58 29.26 2js3 s HIS 94 CO 0.31 -0.77 0.74 0.00 -2.47 0.00 0.00 174.74 172.55 2js3 s ALA 95 N 1.71 3.57 -2.93 1.58 0.00 -1.26 -5.36 121.76 119.07 2js3 s ALA 95 Ca 0.05 -0.40 0.23 0.00 0.00 0.00 0.00 51.96 51.84 2js3 s ALA 95 Cb -0.23 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 19.86 2js3 s ALA 95 CO 0.08 -1.05 1.24 1.55 0.00 0.00 0.00 175.76 177.57