#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 3.38 3.55 3.17 0.00 -1.26 -5.05 105.19 108.98 2js3 n GLY 2 Ca 0.00 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2js3 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2js3 s SER 3 N 0.00 5.40 -1.21 1.61 0.01 -1.26 -4.89 113.70 113.36 2js3 s SER 3 Ca 0.00 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 56.97 2js3 s SER 3 Cb 0.00 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.79 2js3 s SER 3 CO 0.00 -2.37 1.56 -0.55 0.41 0.00 0.00 173.24 172.29 2js3 s SER 4 N 7.45 6.85 0.28 2.44 0.15 -1.26 -4.98 113.70 124.64 2js3 s SER 4 Ca 0.63 -2.46 -0.30 0.00 0.70 0.00 0.00 55.95 54.52 2js3 s SER 4 Cb -0.10 -2.51 -0.11 0.00 -1.71 0.00 0.00 66.02 61.59 2js3 s SER 4 CO 0.13 -1.07 1.56 -1.38 1.20 0.00 0.00 173.24 173.67 2js3 s HIS 5 N 3.38 2.82 -0.11 3.44 0.00 -1.26 -4.42 115.29 119.14 2js3 s HIS 5 Ca 0.48 0.84 -0.07 0.00 -3.00 0.00 0.00 55.06 53.31 2js3 s HIS 5 Cb 0.01 -4.01 0.03 0.00 -4.00 0.00 0.00 32.58 24.61 2js3 s HIS 5 CO 0.02 -3.36 0.15 1.58 -1.00 0.00 0.00 174.74 172.12 2js3 n HIS 6 N 2.21 -3.06 -1.70 0.38 -0.00 -1.26 -4.93 115.22 106.86 2js3 n HIS 6 Ca 0.08 1.79 -0.39 0.00 -0.00 0.00 0.00 57.72 59.20 2js3 n HIS 6 Cb 0.38 -3.15 0.04 0.00 -0.00 0.00 0.00 29.99 27.26 2js3 n HIS 6 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2js3 n HIS 7 N 1.16 1.88 -3.75 1.57 -0.00 -1.26 -5.01 115.22 109.81 2js3 n HIS 7 Ca -0.25 0.45 -0.09 0.00 -0.00 0.00 0.00 57.72 57.82 2js3 n HIS 7 Cb 0.39 -2.30 -0.03 0.00 -0.00 0.00 0.00 29.99 28.04 2js3 n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2js3 s HIS 8 N -1.33 -0.13 -0.43 -1.40 0.00 -1.26 -5.14 115.29 105.61 2js3 s HIS 8 Ca 0.72 -0.22 -0.10 0.00 -3.00 0.00 0.00 55.06 52.46 2js3 s HIS 8 Cb -0.43 0.44 0.08 0.00 -4.00 0.00 0.00 32.58 28.67 2js3 s HIS 8 CO 0.49 -0.97 0.28 -1.01 -1.00 0.00 0.00 174.74 172.53 2js3 s HIS 9 N -3.88 3.33 -0.25 0.38 0.09 -1.26 -4.88 115.29 108.82 2js3 s HIS 9 Ca 0.10 -1.44 0.11 0.00 -0.00 0.00 0.00 55.06 53.82 2js3 s HIS 9 Cb -0.02 -2.98 0.47 0.00 -0.00 0.00 0.00 32.58 30.05 2js3 s HIS 9 CO -0.01 -0.84 1.37 0.72 -0.00 0.00 0.00 174.74 175.97 2js3 n HIS 10 N 4.96 0.68 -2.02 1.40 8.25 -1.26 -4.96 115.22 122.26 2js3 n HIS 10 Ca -0.10 -1.47 -0.26 0.00 -0.26 0.00 0.00 57.72 55.62 2js3 n HIS 10 Cb 0.43 -0.38 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 2js3 n HIS 10 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2js3 s SER 11 N -2.72 4.99 -0.49 0.41 0.01 -1.26 -4.90 113.70 109.74 2js3 s SER 11 Ca 0.42 -1.09 -0.21 0.00 1.31 0.00 0.00 55.95 56.38 2js3 s SER 11 Cb 0.38 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 64.08 2js3 s SER 11 CO -0.01 -3.00 0.69 -0.55 0.41 0.00 0.00 173.24 170.78 2js3 s SER 12 N 7.48 6.28 0.00 2.44 0.15 -1.26 -4.82 113.70 123.96 2js3 s SER 12 Ca 0.71 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2js3 s SER 12 Cb -0.04 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2js3 s SER 12 CO 0.06 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2js3 n GLY 13 N 5.12 0.06 1.96 9.45 0.00 -1.26 -4.68 105.19 115.84 2js3 n GLY 13 Ca -0.03 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 2js3 n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2js3 n ARG 14 N 0.00 3.04 0.00 1.61 1.85 -1.26 -4.68 116.66 117.22 2js3 n ARG 14 Ca 0.00 -3.75 0.11 0.00 -1.00 0.00 0.00 57.85 53.21 2js3 n ARG 14 Cb 0.00 -2.20 0.63 0.00 -1.05 0.00 0.00 32.46 29.84 2js3 n ARG 14 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2js3 n GLU 15 N -0.84 0.88 -0.50 2.89 -0.58 -1.26 -3.96 120.64 117.26 2js3 n GLU 15 Ca 0.48 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 57.12 2js3 n GLU 15 Cb 0.89 -1.38 0.07 0.00 -0.57 0.00 0.00 31.44 30.46 2js3 n GLU 15 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2js3 n ASN 16 N -0.88 3.31 0.00 1.62 6.94 -1.26 -1.18 115.26 123.81 2js3 n ASN 16 Ca 0.16 -2.66 0.00 0.00 -0.02 0.00 0.00 54.58 52.06 2js3 n ASN 16 Cb 0.07 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 2js3 n ASN 16 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2js3 n LEU 17 N -0.17 0.00 -4.93 -4.53 4.77 -1.25 -4.28 117.00 106.60 2js3 n LEU 17 Ca 0.25 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.94 2js3 n LEU 17 Cb 0.98 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 42.21 2js3 n LEU 17 CO 0.25 0.00 0.79 -0.47 -1.33 0.00 0.00 177.39 176.63 2js3 s TYR 18 N 0.00 2.04 1.03 -1.77 5.04 -1.26 -4.63 117.35 117.80 2js3 s TYR 18 Ca 0.00 0.36 -0.11 0.00 -2.44 0.00 0.00 57.07 54.88 2js3 s TYR 18 Cb 0.00 -3.76 0.21 0.00 0.35 0.00 0.00 41.96 38.76 2js3 s TYR 18 CO 0.00 -2.22 1.08 -0.06 -1.34 0.00 0.00 175.55 173.02 2js3 s PHE 19 N -3.67 1.55 0.00 4.97 0.08 -1.26 -2.90 117.98 116.75 2js3 s PHE 19 Ca 0.69 1.46 0.00 0.00 0.12 0.00 0.00 56.93 59.20 2js3 s PHE 19 Cb -0.06 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 2js3 s PHE 19 CO 0.50 -3.28 0.00 0.94 -0.10 0.00 0.00 175.22 173.28 2js3 n GLN 20 N -4.53 0.00 0.00 0.44 7.27 -1.26 -4.70 117.38 114.60 2js3 n GLN 20 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2js3 n GLN 20 Cb 0.53 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.62 2js3 n GLN 20 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2js3 n GLY 21 N -1.93 1.27 7.00 1.69 0.00 -1.21 -5.14 105.19 106.87 2js3 n GLY 21 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2js3 n GLY 21 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2js3 n MET 22 N 0.00 0.00 0.00 1.61 0.00 -0.32 -4.97 117.12 113.44 2js3 n MET 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2js3 n MET 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2js3 n MET 22 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2js3 n THR 23 N -0.83 0.00 0.25 3.17 5.66 -1.26 -4.67 114.28 116.60 2js3 n THR 23 Ca 0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 2js3 n THR 23 Cb 0.00 0.00 0.87 0.00 -1.55 0.00 0.00 70.33 69.65 2js3 n THR 23 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2js3 h ASP 24 N 0.00 0.00 -0.65 1.09 3.32 -1.97 -1.84 116.42 116.37 2js3 h ASP 24 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2js3 h ASP 24 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2js3 h ASP 24 CO 0.00 0.00 0.43 0.74 -1.72 0.00 0.00 179.24 178.69 2js3 h THR 25 N 0.00 1.03 0.00 0.35 2.02 -1.94 -1.95 112.91 112.42 2js3 h THR 25 Ca 0.05 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2js3 h THR 25 Cb 0.28 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2js3 h THR 25 CO -0.00 0.13 -0.08 0.00 0.37 0.00 0.00 175.52 175.94 2js3 h ALA 26 N 1.64 1.11 0.00 6.16 0.00 -1.54 -2.32 119.26 124.30 2js3 h ALA 26 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2js3 h ALA 26 Cb 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2js3 h ALA 26 CO -0.08 0.09 -0.08 0.00 0.00 0.00 0.00 179.25 179.18 2js3 h ALA 27 N 1.92 1.72 -0.15 0.00 0.00 -1.51 -0.47 119.26 120.78 2js3 h ALA 27 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2js3 h ALA 27 Cb 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2js3 h ALA 27 CO 0.01 0.10 -0.13 1.49 0.00 0.00 0.00 179.25 180.72 2js3 h GLU 28 N 0.00 0.35 -0.40 0.00 4.57 -1.57 -1.52 114.58 116.02 2js3 h GLU 28 Ca -0.00 -0.18 -0.16 0.00 -1.18 0.00 0.00 59.36 57.84 2js3 h GLU 28 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2js3 h GLU 28 CO 0.01 0.72 -0.37 -0.44 -1.18 0.00 0.00 179.01 177.76 2js3 h ASP 29 N -0.01 1.00 -0.00 1.04 3.32 -1.49 -2.03 116.42 118.25 2js3 h ASP 29 Ca 0.03 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 2js3 h ASP 29 Cb 0.65 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2js3 h ASP 29 CO 0.03 1.25 -0.19 0.58 -1.72 0.00 0.00 179.24 179.20 2js3 h VAL 30 N 0.78 1.23 -0.36 -1.35 2.07 -1.16 -2.18 116.25 115.28 2js3 h VAL 30 Ca 0.07 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2js3 h VAL 30 Cb 0.96 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2js3 h VAL 30 CO 0.09 0.33 0.21 -0.09 0.02 0.00 0.00 177.57 178.14 2js3 h ARG 31 N 0.32 0.43 -0.00 1.57 2.43 -0.92 -1.78 114.38 116.43 2js3 h ARG 31 Ca 0.06 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2js3 h ARG 31 Cb 0.52 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2js3 h ARG 31 CO 0.03 0.28 -0.28 0.87 -1.51 0.00 0.00 179.97 179.37 2js3 h LYS 32 N 0.44 -0.41 -0.27 0.20 1.57 -0.74 -0.27 116.57 117.08 2js3 h LYS 32 Ca 0.14 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 2js3 h LYS 32 Cb -0.01 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2js3 h LYS 32 CO -0.06 -0.27 -0.21 -0.84 -0.57 0.00 0.00 179.45 177.50 2js3 h ILE 33 N -0.43 1.25 -0.10 1.86 3.07 -1.43 -2.14 117.51 119.61 2js3 h ILE 33 Ca 0.06 -1.19 -0.08 0.00 1.55 0.00 0.00 64.86 65.21 2js3 h ILE 33 Cb 0.51 1.27 -0.01 0.00 -0.27 0.00 0.00 36.82 38.32 2js3 h ILE 33 CO -0.24 0.38 -0.30 0.00 -1.05 0.00 0.00 178.15 176.94 2js3 h ALA 34 N 1.33 1.32 0.00 0.16 0.00 -0.92 -2.73 119.26 118.42 2js3 h ALA 34 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2js3 h ALA 34 Cb 0.61 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2js3 h ALA 34 CO 0.04 0.47 -0.06 1.15 0.00 0.00 0.00 179.25 180.85 2js3 h THR 35 N 0.16 0.95 -0.39 0.00 2.02 -0.35 -2.30 112.91 113.01 2js3 h THR 35 Ca 0.02 -0.22 0.11 0.00 0.77 0.00 0.00 66.41 67.09 2js3 h THR 35 Cb 0.62 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2js3 h THR 35 CO 0.04 0.06 0.36 0.00 0.37 0.00 0.00 175.52 176.36 2js3 h ALA 36 N 1.94 2.15 -0.36 6.16 0.00 -1.49 0.12 119.26 127.78 2js3 h ALA 36 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2js3 h ALA 36 Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2js3 h ALA 36 CO 0.01 -0.56 0.14 -0.07 0.00 0.00 0.00 179.25 178.76 2js3 h LEU 37 N 0.00 0.45 -0.92 0.00 3.38 -1.60 -1.96 115.31 114.65 2js3 h LEU 37 Ca 0.18 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2js3 h LEU 37 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2js3 h LEU 37 CO -0.00 0.42 -0.29 -0.07 0.09 0.00 0.00 178.44 178.60 2js3 h LEU 38 N 0.50 0.00 -0.07 1.67 4.07 -0.94 0.31 115.31 120.86 2js3 h LEU 38 Ca 0.12 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.83 2js3 h LEU 38 Cb 0.12 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.87 2js3 h LEU 38 CO -0.01 0.29 -1.00 0.50 -1.08 0.00 0.00 178.44 177.14 2js3 h LYS 39 N 0.00 0.62 0.00 1.13 3.11 -1.38 -3.42 116.57 116.63 2js3 h LYS 39 Ca -0.00 -0.66 0.00 0.00 -2.81 0.00 0.00 60.65 57.18 2js3 h LYS 39 Cb 0.86 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 2js3 h LYS 39 CO 0.04 1.26 0.00 -2.37 -2.81 0.00 0.00 179.45 175.56 2js3 n THR 40 N -3.83 0.00 0.09 1.00 5.66 -1.18 -4.90 114.28 111.12 2js3 n THR 40 Ca -0.09 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 2js3 n THR 40 Cb 0.86 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.56 2js3 n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2js3 h ALA 41 N 0.00 0.31 -3.30 1.79 0.00 -1.03 -3.39 119.26 113.64 2js3 h ALA 41 Ca 0.00 -0.82 -0.63 0.00 0.00 0.00 0.00 54.91 53.46 2js3 h ALA 41 Cb 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 17.33 2js3 h ALA 41 CO 0.00 0.99 -0.68 0.42 0.00 0.00 0.00 179.25 179.98 2js3 s ILE 42 N -2.91 2.12 0.23 0.00 -1.09 0.84 -3.12 121.20 117.27 2js3 s ILE 42 Ca -0.03 -2.88 -0.09 0.00 -2.23 0.00 0.00 60.65 55.42 2js3 s ILE 42 Cb 0.09 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 2js3 s ILE 42 CO 0.85 -0.79 0.36 -1.83 -1.23 0.00 0.00 174.94 172.30 2js3 s GLU 43 N 0.14 1.41 -0.26 2.79 -1.05 -1.21 -4.71 118.70 115.82 2js3 s GLU 43 Ca 0.16 -1.34 -0.14 0.00 -0.15 0.00 0.00 54.97 53.49 2js3 s GLU 43 Cb -0.24 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 2js3 s GLU 43 CO -0.02 -0.55 0.34 0.96 0.95 0.00 0.00 175.26 176.93 2js3 s ILE 44 N -4.05 5.21 0.03 1.83 -4.36 -1.26 -1.56 121.20 117.04 2js3 s ILE 44 Ca 0.26 0.51 -0.20 0.00 -0.26 0.00 0.00 60.65 60.97 2js3 s ILE 44 Cb 0.02 -3.67 -0.06 0.00 1.25 0.00 0.00 42.46 40.00 2js3 s ILE 44 CO 0.09 0.20 0.58 0.68 0.24 0.00 0.00 174.94 176.73 2js3 s VAL 45 N 1.81 4.84 0.03 8.37 -7.23 0.98 -4.82 120.40 124.38 2js3 s VAL 45 Ca 0.14 1.22 -0.21 0.00 -1.81 0.00 0.00 61.98 61.32 2js3 s VAL 45 Cb -0.15 -3.91 -0.06 0.00 0.56 0.00 0.00 36.38 32.81 2js3 s VAL 45 CO 0.09 0.48 0.62 -0.44 -0.31 0.00 0.00 175.10 175.53 2js3 s SER 46 N -0.58 7.05 0.61 4.85 0.01 -1.26 -0.24 113.70 124.14 2js3 s SER 46 Ca 0.30 1.25 -0.12 0.00 1.31 0.00 0.00 55.95 58.69 2js3 s SER 46 Cb -0.19 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2js3 s SER 46 CO 0.18 0.15 1.03 -1.61 0.41 0.00 0.00 173.24 173.40 2js3 s GLU 47 N -0.52 3.54 0.31 12.44 0.41 0.56 -4.96 118.70 130.48 2js3 s GLU 47 Ca 0.31 0.86 0.02 0.00 -0.41 0.00 0.00 54.97 55.75 2js3 s GLU 47 Cb -0.19 -2.07 0.50 0.00 -1.78 0.00 0.00 34.13 30.59 2js3 s GLU 47 CO 0.19 -0.62 1.84 1.49 -0.49 0.00 0.00 175.26 177.67 2js3 h GLU 48 N -0.08 0.65 -1.82 1.61 4.81 -1.98 -3.43 114.58 114.34 2js3 h GLU 48 Ca -0.45 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 58.70 2js3 h GLU 48 Cb 1.19 -0.09 -0.23 0.00 0.63 0.00 0.00 28.75 30.25 2js3 h GLU 48 CO 0.61 0.65 0.11 0.34 -0.73 0.00 0.00 179.01 179.99 2js3 s ASP 49 N -6.68 -0.83 0.00 1.04 2.15 -1.26 -5.00 116.67 106.09 2js3 s ASP 49 Ca -0.08 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.19 2js3 s ASP 49 Cb 0.15 1.46 0.00 0.00 -0.30 0.00 0.00 42.92 44.23 2js3 s ASP 49 CO 0.78 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 176.19 2js3 n GLY 50 N 4.31 2.29 0.00 2.66 0.00 -1.26 -5.08 105.19 108.11 2js3 n GLY 50 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.12 3.19 -0.02 0.00 -1.26 -5.04 105.19 102.18 2js3 n GLY 51 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.00 -0.29 -0.12 4.61 0.00 -1.26 -0.32 121.76 123.38 2js3 s ALA 52 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2js3 s ALA 52 Cb 0.00 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.51 2js3 s ALA 52 CO 0.00 -0.43 -0.12 -1.01 0.00 0.00 0.00 175.76 174.20 2js3 s HIS 53 N -3.14 1.82 -0.37 0.00 3.76 0.67 -2.54 115.29 115.50 2js3 s HIS 53 Ca -0.01 -0.92 -0.25 0.00 -0.15 0.00 0.00 55.06 53.73 2js3 s HIS 53 Cb 0.02 -1.38 0.01 0.00 1.11 0.00 0.00 32.58 32.34 2js3 s HIS 53 CO -0.07 -0.53 0.90 1.21 -0.85 0.00 0.00 174.74 175.40 2js3 s ASN 54 N 1.36 6.65 0.11 1.40 2.47 0.12 -0.02 114.94 127.04 2js3 s ASN 54 Ca 0.00 0.54 0.10 0.00 0.42 0.00 0.00 52.86 53.92 2js3 s ASN 54 Cb -0.14 -2.45 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 2js3 s ASN 54 CO -0.06 -0.83 -0.25 -1.10 -3.72 0.00 0.00 177.10 171.13 2js3 s GLN 55 N 3.40 1.40 -0.38 0.43 -0.21 -0.60 -1.01 119.66 122.68 2js3 s GLN 55 Ca 0.37 -1.26 -0.01 0.00 0.02 0.00 0.00 55.36 54.47 2js3 s GLN 55 Cb -0.12 -1.80 0.10 0.00 1.00 0.00 0.00 33.01 32.19 2js3 s GLN 55 CO 0.18 0.43 0.15 0.00 -2.12 0.00 0.00 175.29 173.93 2js3 h LYS 57 N 7.96 0.00 -0.57 0.00 1.63 -1.82 0.19 116.57 123.97 2js3 h LYS 57 Ca -0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2js3 h LYS 57 Cb 1.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 2js3 h LYS 57 CO 0.64 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.92 2js3 n LEU 58 N -2.47 0.97 0.00 5.20 4.32 -1.26 -4.15 117.00 119.61 2js3 n LEU 58 Ca 0.01 -0.49 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 2js3 n LEU 58 Cb 0.19 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 2js3 n LEU 58 CO 0.19 0.20 0.00 0.00 -1.22 0.00 0.00 177.39 176.56 2js3 n GLY 60 N -1.40 0.99 3.75 0.00 0.00 0.61 -5.08 105.19 104.06 2js3 n GLY 60 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.40 -0.15 4.61 0.00 -1.19 -4.89 121.76 121.54 2js3 s ALA 61 Ca 0.00 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.75 2js3 s ALA 61 Cb 0.00 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.84 2js3 s ALA 61 CO 0.00 -0.20 0.36 -1.12 0.00 0.00 0.00 175.76 174.80 2js3 s SER 62 N -0.43 -0.31 0.04 0.00 0.01 -1.26 -0.18 113.70 111.57 2js3 s SER 62 Ca 0.48 0.79 0.05 0.00 1.31 0.00 0.00 55.95 58.57 2js3 s SER 62 Cb -0.31 0.77 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 2js3 s SER 62 CO 0.38 -0.20 -0.14 0.54 0.41 0.00 0.00 173.24 174.23 2js3 s VAL 63 N 1.69 1.12 0.28 3.43 0.11 -0.18 -4.97 120.40 121.87 2js3 s VAL 63 Ca -0.07 -1.04 -0.28 0.00 -2.93 0.00 0.00 61.98 57.66 2js3 s VAL 63 Cb -0.10 -1.02 -0.14 0.00 -1.53 0.00 0.00 36.38 33.59 2js3 s VAL 63 CO -0.11 -0.02 0.96 -2.65 -3.33 0.00 0.00 175.10 169.95 2js3 n PRO 64 N 1.82 1.21 -0.67 1.54 -0.02 -1.26 -0.70 135.00 136.91 2js3 n PRO 64 Ca -0.18 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 2js3 n PRO 64 Cb 0.55 -1.76 0.23 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.04 1.53 0.00 6.00 1.48 -1.05 -3.69 118.94 122.17 2js3 s TRP 65 Ca 0.59 1.25 0.00 0.00 -1.06 0.00 0.00 56.10 56.88 2js3 s TRP 65 Cb -0.73 -3.15 0.00 0.00 -1.16 0.00 0.00 33.47 28.43 2js3 s TRP 65 CO 0.59 -3.54 0.00 -0.11 -4.06 0.00 0.00 176.95 169.83 2js3 n LEU 66 N -4.69 0.00 -4.88 -4.66 0.00 -1.26 -4.93 117.00 96.58 2js3 n LEU 66 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.76 2js3 n LEU 66 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.94 2js3 n LEU 66 CO 0.56 0.00 0.45 -1.58 0.00 0.00 0.00 177.39 176.82 2js3 s GLN 67 N 0.00 3.73 -0.14 1.96 0.74 -1.24 -5.03 119.66 119.68 2js3 s GLN 67 Ca 0.00 0.42 -0.20 0.00 0.05 0.00 0.00 55.36 55.63 2js3 s GLN 67 Cb 0.00 -2.38 -0.24 0.00 1.10 0.00 0.00 33.01 31.48 2js3 s GLN 67 CO 0.00 -0.08 0.48 1.15 -0.55 0.00 0.00 175.29 176.29 2js3 h THR 68 N 0.90 1.12 -4.69 -0.34 2.02 -1.91 -3.47 112.91 106.54 2js3 h THR 68 Ca -0.47 -2.32 -0.19 0.00 0.77 0.00 0.00 66.41 64.20 2js3 h THR 68 Cb 1.19 2.67 0.14 0.00 -1.74 0.00 0.00 68.15 70.41 2js3 h THR 68 CO 0.63 0.56 -0.59 0.61 0.37 0.00 0.00 175.52 177.10 2js3 n GLY 69 N 1.62 -0.45 5.17 2.16 0.00 -1.26 -1.74 105.19 110.69 2js3 n GLY 69 Ca -0.25 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2js3 n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2js3 n ASP 70 N -2.67 0.00 -2.60 1.61 8.00 -1.26 -0.51 116.55 119.12 2js3 n ASP 70 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2js3 n ASP 70 Cb 0.59 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.75 2js3 n ASP 70 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2js3 n GLU 71 N 0.00 1.42 -0.98 -1.24 1.02 -1.26 -4.92 120.64 114.68 2js3 n GLU 71 Ca 0.00 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.19 2js3 n GLU 71 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.58 0.00 -1.37 -3.67 0.00 0.34 -4.62 119.36 109.46 2js3 n ILE 72 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.78 2js3 n ILE 72 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 39.64 40.47 2js3 n ILE 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2js3 n LYS 73 N -2.10 -2.86 -4.23 9.51 3.00 -1.10 -4.51 118.16 115.87 2js3 n LYS 73 Ca 0.00 2.27 -0.17 0.00 -0.00 0.00 0.00 58.31 60.42 2js3 n LYS 73 Cb 0.00 -2.27 -0.14 0.00 0.00 0.00 0.00 35.03 32.62 2js3 n LYS 73 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2js3 s HIS 74 N -0.27 0.68 0.51 5.64 3.76 -1.26 -4.80 115.29 119.54 2js3 s HIS 74 Ca 0.00 -0.20 -0.02 0.00 -0.15 0.00 0.00 55.06 54.69 2js3 s HIS 74 Cb 0.00 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.27 2js3 s HIS 74 CO 0.00 -0.02 0.76 0.00 -0.85 0.00 0.00 174.74 174.63 2js3 s ALA 75 N -0.44 3.63 0.13 -1.40 0.00 -1.26 -5.01 121.76 117.41 2js3 s ALA 75 Ca 0.00 -0.99 0.17 0.00 0.00 0.00 0.00 51.96 51.14 2js3 s ALA 75 Cb -0.04 -2.28 0.52 0.00 0.00 0.00 0.00 23.12 21.32 2js3 s ALA 75 CO -0.00 -0.58 1.66 -0.44 0.00 0.00 0.00 175.76 176.40 2js3 h ASP 76 N 0.16 0.00 1.33 0.00 3.32 -2.02 -3.22 116.42 115.99 2js3 h ASP 76 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2js3 h ASP 76 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2js3 h ASP 76 CO 0.58 0.44 0.00 -0.67 -1.72 0.00 0.00 179.24 177.87 2js3 n ASP 77 N -3.50 0.64 -4.72 6.45 2.03 -1.26 -4.82 116.55 111.37 2js3 n ASP 77 Ca 0.00 0.57 -0.42 0.00 0.52 0.00 0.00 54.79 55.46 2js3 n ASP 77 Cb 0.57 -0.74 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 2js3 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2js3 n PRO 79 N 3.41 0.38 0.02 0.00 -0.02 -1.26 -2.68 135.00 134.85 2js3 n PRO 79 Ca 0.05 0.01 -0.03 0.00 -2.02 0.00 0.00 63.50 61.51 2js3 n PRO 79 Cb 0.49 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.67 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 1.27 -0.65 -1.45 2.07 -1.93 -2.54 116.25 113.01 2js3 h VAL 80 Ca 0.00 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2js3 h VAL 80 Cb 0.01 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2js3 h VAL 80 CO 0.00 0.40 0.42 -0.37 0.02 0.00 0.00 177.57 178.04 2js3 h VAL 81 N 0.42 1.13 0.00 2.57 -1.51 -1.86 -0.89 116.25 116.11 2js3 h VAL 81 Ca 0.06 -0.29 -0.27 0.00 -1.23 0.00 0.00 66.70 64.98 2js3 h VAL 81 Cb 0.67 0.21 0.02 0.00 -2.13 0.00 0.00 31.29 30.07 2js3 h VAL 81 CO 0.05 0.15 -1.05 -0.29 -1.23 0.00 0.00 177.57 175.21 2js3 h ILE 82 N 0.84 1.29 -0.24 7.19 6.09 -1.79 -3.22 117.51 127.66 2js3 h ILE 82 Ca 0.25 -2.26 0.04 0.00 -1.37 0.00 0.00 64.86 61.51 2js3 h ILE 82 Cb -0.05 2.39 -0.04 0.00 0.47 0.00 0.00 36.82 39.60 2js3 h ILE 82 CO -0.08 0.70 0.00 0.00 -3.07 0.00 0.00 178.15 175.70 2js3 h ALA 83 N 0.42 0.21 -0.12 0.18 0.00 -1.09 -2.40 119.26 116.47 2js3 h ALA 83 Ca -0.13 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2js3 h ALA 83 Cb 1.70 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 2js3 h ALA 83 CO 0.20 -0.42 -0.15 0.87 0.00 0.00 0.00 179.25 179.75 2js3 h LYS 84 N 0.08 -0.19 -1.01 0.00 1.57 -1.27 -0.90 116.57 114.86 2js3 h LYS 84 Ca 0.11 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.13 2js3 h LYS 84 Cb 0.15 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 2js3 h LYS 84 CO -0.19 -0.13 0.61 1.96 -0.57 0.00 0.00 179.45 181.13 2js3 h GLN 85 N -0.20 0.64 0.03 3.15 4.20 -1.48 0.11 115.11 121.55 2js3 h GLN 85 Ca 0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2js3 h GLN 85 Cb 0.33 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2js3 h GLN 85 CO -0.24 0.42 -0.01 0.82 -0.67 0.00 0.00 178.83 179.15 2js3 h ILE 86 N 0.65 1.42 0.00 2.54 2.04 -0.85 -2.09 117.51 121.21 2js3 h ILE 86 Ca 0.61 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2js3 h ILE 86 Cb 1.09 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2js3 h ILE 86 CO -0.42 0.41 0.00 0.17 0.00 0.00 0.00 178.15 178.31 2js3 h LEU 87 N -0.81 0.00 0.09 1.44 8.10 -0.75 -3.15 115.31 120.23 2js3 h LEU 87 Ca -0.00 0.00 -0.37 0.00 0.11 0.00 0.00 57.88 57.61 2js3 h LEU 87 Cb 0.71 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.89 2js3 h LEU 87 CO 0.01 0.00 -2.13 -1.20 -4.11 0.00 0.00 178.44 171.00 2js3 n SER 88 N -3.06 2.06 -1.69 0.17 7.64 0.34 -4.96 113.62 114.12 2js3 n SER 88 Ca 0.01 0.11 -0.20 0.00 1.01 0.00 0.00 58.87 59.80 2js3 n SER 88 Cb 0.33 -0.72 -0.07 0.00 -1.01 0.00 0.00 64.21 62.74 2js3 n SER 88 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2js3 n SER 89 N -3.41 -5.51 -4.78 6.43 7.64 -0.79 -4.96 113.62 108.24 2js3 n SER 89 Ca -0.36 0.42 -0.39 0.00 1.01 0.00 0.00 58.87 59.55 2js3 n SER 89 Cb 1.03 -4.75 -0.06 0.00 -1.01 0.00 0.00 64.21 59.42 2js3 n SER 89 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2js3 s ARG 90 N -3.94 4.50 -0.19 1.43 3.52 -1.26 -4.85 118.95 118.15 2js3 s ARG 90 Ca 0.00 1.07 -0.10 0.00 -0.13 0.00 0.00 55.73 56.58 2js3 s ARG 90 Cb 0.00 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 2js3 s ARG 90 CO 0.00 0.57 0.62 -2.30 -0.81 0.00 0.00 175.30 173.39 2js3 n PRO 91 N 1.67 0.00 -3.00 5.12 -0.02 -1.26 -4.83 135.00 132.68 2js3 n PRO 91 Ca -0.06 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.97 2js3 n PRO 91 Cb 0.49 -0.39 -0.03 0.00 -0.02 0.00 0.00 33.50 33.55 2js3 n PRO 91 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2js3 s LYS 92 N 1.92 3.32 -0.67 -0.52 1.02 -1.26 -4.99 119.74 118.56 2js3 s LYS 92 Ca 0.33 -1.46 -0.28 0.00 0.02 0.00 0.00 55.97 54.58 2js3 s LYS 92 Cb -0.35 -4.51 0.03 0.00 -0.52 0.00 0.00 37.83 32.47 2js3 s LYS 92 CO 0.15 -1.68 1.26 -1.17 -0.92 0.00 0.00 175.35 172.99 2js3 s LEU 93 N 2.82 3.28 0.00 3.17 2.96 -1.26 -4.16 118.68 125.49 2js3 s LEU 93 Ca 0.23 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2js3 s LEU 93 Cb -0.14 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.74 2js3 s LEU 93 CO 0.00 -1.70 0.00 1.57 -1.32 0.00 0.00 176.35 174.90 2js3 n HIS 94 N 9.07 0.00 -0.69 5.38 -0.00 -1.26 -4.78 115.22 122.95 2js3 n HIS 94 Ca 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.86 2js3 n HIS 94 Cb 0.49 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.99 30.35 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2js3 n ALA 95 N 0.18 -1.80 0.99 1.57 0.00 -1.26 -5.33 120.51 114.86 2js3 n ALA 95 Ca 0.00 0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.95 2js3 n ALA 95 Cb 0.00 -0.72 0.10 0.00 0.00 0.00 0.00 19.45 18.83 2js3 n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78