#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 6.17 5.16 -5.12 0.00 -1.26 -4.96 105.19 105.17 2js3 n GLY 2 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2js3 n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2js3 n SER 3 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.75 113.62 116.86 2js3 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2js3 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2js3 n SER 3 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2js3 n SER 4 N 3.34 0.00 -3.72 6.43 2.88 -1.26 -5.09 113.62 116.21 2js3 n SER 4 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2js3 n SER 4 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 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 -2.00 2.55 0.21 0.66 -0.00 -1.26 -5.10 115.29 110.35 2js3 s HIS 5 Ca 0.00 -2.88 -0.30 0.00 -0.00 0.00 0.00 55.06 51.88 2js3 s HIS 5 Cb 0.00 -2.04 -0.16 0.00 -0.00 0.00 0.00 32.58 30.38 2js3 s HIS 5 CO 0.00 -0.68 0.87 -2.39 -0.00 0.00 0.00 174.74 172.54 2js3 n HIS 6 N 2.53 0.60 -1.70 0.38 -0.00 -1.26 -4.87 115.22 110.90 2js3 n HIS 6 Ca 0.20 0.82 0.00 0.00 -0.00 0.00 0.00 57.72 58.74 2js3 n HIS 6 Cb 0.39 -2.14 0.00 0.00 -0.00 0.00 0.00 29.99 28.24 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 0.50 0.00 -2.84 -1.40 -0.00 -1.26 -5.05 115.22 105.17 2js3 n HIS 7 Ca 0.14 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.43 2js3 n HIS 7 Cb 0.26 0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 2js3 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2js3 n HIS 8 N 0.00 4.73 0.00 -1.40 -0.00 -1.26 -4.40 115.22 112.89 2js3 n HIS 8 Ca 0.00 -3.25 0.00 0.00 0.46 0.00 0.00 57.72 54.93 2js3 n HIS 8 Cb 0.42 -2.22 0.00 0.00 -0.12 0.00 0.00 29.99 28.08 2js3 n HIS 8 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2js3 n HIS 9 N 5.76 -0.34 -2.54 1.57 -0.00 -1.26 -5.14 115.22 113.27 2js3 n HIS 9 Ca 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 58.06 2js3 n HIS 9 Cb 0.42 0.10 -0.03 0.00 -0.00 0.00 0.00 29.99 30.48 2js3 n HIS 9 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2js3 n HIS 10 N -1.29 -4.08 -1.83 4.41 -0.00 -1.26 -4.98 115.22 106.18 2js3 n HIS 10 Ca 0.00 2.25 -0.33 0.00 -0.00 0.00 0.00 57.72 59.63 2js3 n HIS 10 Cb 0.00 -3.78 0.04 0.00 -0.00 0.00 0.00 29.99 26.25 2js3 n HIS 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2js3 s SER 11 N -0.84 5.23 0.07 0.41 1.04 -1.26 -5.05 113.70 113.30 2js3 s SER 11 Ca -0.21 2.00 0.06 0.00 0.48 0.00 0.00 55.95 58.29 2js3 s SER 11 Cb 0.01 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2js3 s SER 11 CO 0.74 -1.55 -0.12 -0.94 0.98 0.00 0.00 173.24 172.35 2js3 s SER 12 N -2.51 4.27 0.00 7.02 1.04 -1.26 -5.08 113.70 117.18 2js3 s SER 12 Ca 0.67 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2js3 s SER 12 Cb -0.20 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2js3 s SER 12 CO 0.40 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.44 2js3 n GLY 13 N 1.09 3.29 2.90 7.32 0.00 -1.26 -5.08 105.19 113.45 2js3 n GLY 13 Ca -0.15 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 2js3 n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2js3 s ARG 14 N -2.13 0.67 -0.08 1.61 3.52 -1.26 -4.92 118.95 116.36 2js3 s ARG 14 Ca 0.00 -0.62 -0.19 0.00 -0.13 0.00 0.00 55.73 54.79 2js3 s ARG 14 Cb 0.00 -0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 2js3 s ARG 14 CO 0.00 -1.18 0.54 -1.21 -0.81 0.00 0.00 175.30 172.64 2js3 s GLU 15 N 1.63 4.33 -0.64 5.12 0.41 -1.26 -5.02 118.70 123.27 2js3 s GLU 15 Ca 0.16 0.59 0.05 0.00 -0.41 0.00 0.00 54.97 55.36 2js3 s GLU 15 Cb -0.12 -3.41 0.16 0.00 -1.78 0.00 0.00 34.13 28.99 2js3 s GLU 15 CO -0.06 0.21 0.44 -0.80 -0.49 0.00 0.00 175.26 174.56 2js3 s ASN 16 N 0.39 4.31 0.26 -0.19 0.02 -1.26 -5.01 114.94 113.46 2js3 s ASN 16 Ca 0.29 -3.63 0.03 0.00 -1.02 0.00 0.00 52.86 48.53 2js3 s ASN 16 Cb -0.16 -1.46 -0.01 0.00 0.02 0.00 0.00 41.25 39.63 2js3 s ASN 16 CO 0.13 -0.12 0.11 0.18 0.02 0.00 0.00 177.10 177.43 2js3 n LEU 17 N 2.25 0.00 -4.17 0.60 4.77 -1.26 -5.18 117.00 114.01 2js3 n LEU 17 Ca 0.19 -2.06 -0.11 0.00 -0.03 0.00 0.00 56.01 54.00 2js3 n LEU 17 Cb 0.36 0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 42.11 2js3 n LEU 17 CO 0.25 -0.32 -0.39 -0.47 -1.33 0.00 0.00 177.39 175.13 2js3 s TYR 18 N -2.62 0.91 -0.72 -1.77 5.04 -1.26 -5.07 117.35 111.86 2js3 s TYR 18 Ca 0.16 -0.85 -0.26 0.00 -2.44 0.00 0.00 57.07 53.68 2js3 s TYR 18 Cb 0.01 -0.52 -0.09 0.00 0.35 0.00 0.00 41.96 41.71 2js3 s TYR 18 CO 0.11 -0.12 2.24 -0.06 -1.34 0.00 0.00 175.55 176.38 2js3 s PHE 19 N -3.35 1.33 0.00 4.97 0.08 -1.26 -2.52 117.98 117.24 2js3 s PHE 19 Ca 0.10 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2js3 s PHE 19 Cb 0.03 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 2js3 s PHE 19 CO -0.04 -1.93 0.00 0.94 -0.10 0.00 0.00 175.22 174.09 2js3 n GLN 20 N 8.92 0.00 -2.82 0.44 7.27 -1.26 -4.97 117.38 124.96 2js3 n GLN 20 Ca 0.40 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.35 2js3 n GLN 20 Cb 0.48 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.15 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 0.00 2.11 3.60 1.69 0.00 -1.05 -5.08 105.19 106.45 2js3 n GLY 21 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2js3 n GLY 21 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2js3 s MET 22 N -2.67 3.79 0.00 1.61 -1.94 -1.26 -4.85 119.30 113.99 2js3 s MET 22 Ca 0.31 0.46 0.00 0.00 -1.71 0.00 0.00 55.69 54.75 2js3 s MET 22 Cb 0.42 -3.81 0.00 0.00 2.01 0.00 0.00 34.83 33.45 2js3 s MET 22 CO -0.00 -0.93 0.00 0.25 -0.01 0.00 0.00 175.02 174.33 2js3 n THR 23 N 5.94 0.00 -0.30 2.05 -2.24 -1.26 -4.95 114.28 113.52 2js3 n THR 23 Ca 0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 2js3 n THR 23 Cb 0.48 -0.90 0.22 0.00 -2.10 0.00 0.00 70.33 68.03 2js3 n THR 23 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2js3 h ASP 24 N 0.00 0.62 0.87 3.42 1.82 -2.04 -1.68 116.42 119.42 2js3 h ASP 24 Ca 0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2js3 h ASP 24 Cb 0.00 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.98 2js3 h ASP 24 CO 0.00 0.29 0.00 0.35 -1.61 0.00 0.00 179.24 178.27 2js3 n THR 25 N -4.81 0.21 0.27 2.25 -2.24 -1.26 -2.70 114.28 106.00 2js3 n THR 25 Ca 0.17 0.05 0.15 0.00 -2.27 0.00 0.00 64.05 62.15 2js3 n THR 25 Cb 0.40 -0.60 0.73 0.00 -2.10 0.00 0.00 70.33 68.76 2js3 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2js3 h ALA 26 N 2.92 1.09 0.00 6.98 0.00 -1.67 -1.81 119.26 126.77 2js3 h ALA 26 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2js3 h ALA 26 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2js3 h ALA 26 CO 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 2js3 h ALA 27 N 1.92 1.57 0.09 0.00 0.00 -1.66 -2.87 119.26 118.31 2js3 h ALA 27 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2js3 h ALA 27 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2js3 h ALA 27 CO 0.01 0.15 -0.05 1.49 0.00 0.00 0.00 179.25 180.86 2js3 h GLU 28 N 0.00 -0.12 -0.24 0.00 4.57 -1.54 -2.34 114.58 114.90 2js3 h GLU 28 Ca -0.00 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.03 2js3 h GLU 28 Cb 0.25 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2js3 h GLU 28 CO 0.02 0.17 -0.51 -0.44 -1.18 0.00 0.00 179.01 177.07 2js3 h ASP 29 N -0.42 0.74 -0.34 1.04 5.19 -1.66 -0.94 116.42 120.02 2js3 h ASP 29 Ca -0.01 -0.38 -0.10 0.00 -0.62 0.00 0.00 57.03 55.91 2js3 h ASP 29 Cb 0.35 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 2js3 h ASP 29 CO 0.02 1.11 -0.16 -0.37 -3.12 0.00 0.00 179.24 176.72 2js3 h VAL 30 N 0.52 1.26 0.00 -1.35 -1.51 -1.55 -2.44 116.25 111.18 2js3 h VAL 30 Ca 0.02 -1.25 -0.14 0.00 -1.23 0.00 0.00 66.70 64.10 2js3 h VAL 30 Cb 1.07 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.31 2js3 h VAL 30 CO 0.10 0.43 -0.66 0.08 -1.23 0.00 0.00 177.57 176.29 2js3 h ARG 31 N 0.71 0.00 -0.75 5.19 0.11 -1.33 -2.92 114.38 115.40 2js3 h ARG 31 Ca 0.11 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.30 2js3 h ARG 31 Cb 0.66 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.66 2js3 h ARG 31 CO 0.05 0.66 0.37 -0.22 0.10 0.00 0.00 179.97 180.92 2js3 h LYS 32 N 0.00 0.58 -0.48 0.08 3.64 -0.72 0.35 116.57 120.01 2js3 h LYS 32 Ca -0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2js3 h LYS 32 Cb 1.23 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2js3 h LYS 32 CO 0.09 0.38 0.22 0.82 -2.27 0.00 0.00 179.45 178.69 2js3 h ILE 33 N 0.59 1.20 -0.16 2.00 2.04 -1.28 -2.55 117.51 119.34 2js3 h ILE 33 Ca 0.38 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 2js3 h ILE 33 Cb 0.45 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2js3 h ILE 33 CO -0.30 0.22 -0.15 0.00 0.00 0.00 0.00 178.15 177.92 2js3 h ALA 34 N 1.06 1.44 -0.22 1.87 0.00 -1.11 -2.32 119.26 119.98 2js3 h ALA 34 Ca 0.16 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2js3 h ALA 34 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2js3 h ALA 34 CO -0.02 0.39 0.16 1.15 0.00 0.00 0.00 179.25 180.93 2js3 h THR 35 N 0.25 0.93 -0.24 0.00 2.02 0.08 0.72 112.91 116.67 2js3 h THR 35 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2js3 h THR 35 Cb 0.42 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2js3 h THR 35 CO 0.03 0.01 0.12 0.00 0.37 0.00 0.00 175.52 176.05 2js3 h ALA 36 N 1.88 0.32 0.00 6.16 0.00 -1.37 -1.78 119.26 124.46 2js3 h ALA 36 Ca 0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2js3 h ALA 36 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2js3 h ALA 36 CO -0.01 -0.13 -0.45 1.37 0.00 0.00 0.00 179.25 180.03 2js3 h LEU 37 N 0.27 0.00 -1.00 0.00 8.10 -1.46 -3.17 115.31 118.05 2js3 h LEU 37 Ca 0.08 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.97 2js3 h LEU 37 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 2js3 h LEU 37 CO -0.01 0.45 -0.45 0.25 -4.11 0.00 0.00 178.44 174.56 2js3 h LEU 38 N 0.00 0.11 -0.01 0.17 5.85 -0.63 -3.13 115.31 117.67 2js3 h LEU 38 Ca -0.00 -0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.45 2js3 h LEU 38 Cb 1.29 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 42.30 2js3 h LEU 38 CO 0.06 0.55 -0.84 0.11 -0.34 0.00 0.00 178.44 177.98 2js3 h LYS 39 N 0.08 0.59 0.00 1.25 1.57 -1.31 -3.48 116.57 115.28 2js3 h LYS 39 Ca 0.00 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2js3 h LYS 39 Cb 0.84 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2js3 h LYS 39 CO 0.06 1.23 0.00 2.41 -0.57 0.00 0.00 179.45 182.58 2js3 n THR 40 N -4.02 0.00 0.00 -0.16 -1.04 -1.18 -5.04 114.28 102.84 2js3 n THR 40 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2js3 n THR 40 Cb 0.78 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 2js3 n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2js3 n ALA 41 N -1.72 0.00 -1.59 2.41 0.00 -1.24 -4.88 120.51 113.49 2js3 n ALA 41 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2js3 n ALA 41 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2js3 n ALA 41 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2js3 n ILE 42 N 0.00 2.95 -4.13 0.00 5.41 -1.26 -4.97 119.36 117.36 2js3 n ILE 42 Ca 0.00 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.93 2js3 n ILE 42 Cb 0.00 -1.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.79 2js3 n ILE 42 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2js3 s GLU 43 N -2.35 2.98 -0.17 0.38 2.56 -0.86 -4.93 118.70 116.32 2js3 s GLU 43 Ca 0.70 -0.54 -0.03 0.00 0.00 0.00 0.00 54.97 55.10 2js3 s GLU 43 Cb -0.47 -2.80 -0.02 0.00 2.00 0.00 0.00 34.13 32.84 2js3 s GLU 43 CO 0.52 0.63 -0.07 0.96 -0.56 0.00 0.00 175.26 176.75 2js3 s ILE 44 N -1.20 3.49 -0.43 -3.70 -4.36 -1.26 -0.11 121.20 113.63 2js3 s ILE 44 Ca 0.23 -0.49 -0.13 0.00 -0.26 0.00 0.00 60.65 60.00 2js3 s ILE 44 Cb -0.12 -2.53 0.06 0.00 1.25 0.00 0.00 42.46 41.12 2js3 s ILE 44 CO 0.14 0.48 0.31 0.68 0.24 0.00 0.00 174.94 176.79 2js3 s VAL 45 N 0.70 4.84 -0.16 8.37 -7.23 0.50 -4.89 120.40 122.53 2js3 s VAL 45 Ca -0.03 -1.07 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 2js3 s VAL 45 Cb -0.15 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 2js3 s VAL 45 CO 0.02 -0.46 0.11 -0.55 -0.31 0.00 0.00 175.10 173.91 2js3 s SER 46 N 2.16 6.12 -0.12 4.85 0.15 -1.26 -0.66 113.70 124.94 2js3 s SER 46 Ca 0.03 0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.98 2js3 s SER 46 Cb -0.22 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2js3 s SER 46 CO 0.06 0.28 -0.11 -1.61 1.20 0.00 0.00 173.24 173.06 2js3 s GLU 47 N -0.27 3.26 0.17 5.44 2.02 0.43 -4.93 118.70 124.82 2js3 s GLU 47 Ca 0.10 -0.65 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 2js3 s GLU 47 Cb -0.12 -2.63 0.06 0.00 0.10 0.00 0.00 34.13 31.54 2js3 s GLU 47 CO 0.01 0.31 1.52 1.49 0.02 0.00 0.00 175.26 178.61 2js3 h GLU 48 N 6.41 0.81 0.04 1.61 4.81 -1.98 -2.34 114.58 123.94 2js3 h GLU 48 Ca -0.31 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 58.51 2js3 h GLU 48 Cb 1.20 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2js3 h GLU 48 CO 0.56 1.05 -0.02 0.22 -0.73 0.00 0.00 179.01 180.08 2js3 h ASP 49 N 0.66 -0.05 0.00 1.04 3.58 -2.05 -3.44 116.42 116.17 2js3 h ASP 49 Ca 0.06 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2js3 h ASP 49 Cb 0.94 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2js3 h ASP 49 CO 0.09 0.34 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 2js3 n GLY 50 N -0.07 1.31 0.71 -0.78 0.00 -1.18 -5.13 105.19 100.05 2js3 n GLY 50 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 4.40 1.42 3.60 -0.02 0.00 -0.89 -4.87 105.19 108.83 2js3 n GLY 51 Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.20 3.55 -0.23 4.61 0.00 -1.26 -0.43 121.76 126.81 2js3 s ALA 52 Ca 0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 2js3 s ALA 52 Cb -0.01 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2js3 s ALA 52 CO 0.01 -0.98 0.10 -1.01 0.00 0.00 0.00 175.76 173.88 2js3 s HIS 53 N 2.51 3.21 -0.50 0.00 3.76 0.17 -4.17 115.29 120.27 2js3 s HIS 53 Ca 0.24 -0.03 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 2js3 s HIS 53 Cb -0.15 -2.20 0.05 0.00 1.11 0.00 0.00 32.58 31.38 2js3 s HIS 53 CO 0.11 -0.05 0.68 1.21 -0.85 0.00 0.00 174.74 175.84 2js3 s ASN 54 N 1.04 6.26 -0.02 1.40 2.47 -0.03 -0.37 114.94 125.69 2js3 s ASN 54 Ca 0.05 -0.69 0.05 0.00 0.42 0.00 0.00 52.86 52.70 2js3 s ASN 54 Cb -0.14 -2.32 -0.01 0.00 -1.45 0.00 0.00 41.25 37.33 2js3 s ASN 54 CO 0.04 -0.92 -0.17 0.00 -3.72 0.00 0.00 177.10 172.32 2js3 s GLN 55 N 2.89 1.56 -0.38 0.43 1.03 0.84 0.35 119.66 126.39 2js3 s GLN 55 Ca 0.19 -0.62 -0.20 0.00 0.04 0.00 0.00 55.36 54.77 2js3 s GLN 55 Cb -0.17 -1.45 0.01 0.00 0.03 0.00 0.00 33.01 31.43 2js3 s GLN 55 CO 0.15 0.33 0.61 0.00 -2.54 0.00 0.00 175.29 173.84 2js3 n LYS 57 N 6.03 0.03 -0.03 0.00 4.76 -1.26 -0.48 118.16 127.21 2js3 n LYS 57 Ca -0.02 0.30 -0.03 0.00 -2.87 0.00 0.00 58.31 55.69 2js3 n LYS 57 Cb 0.48 -1.56 -0.13 0.00 -1.84 0.00 0.00 35.03 31.98 2js3 n LYS 57 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2js3 n LEU 58 N -1.63 0.44 0.00 -0.35 7.94 -1.26 -4.51 117.00 117.63 2js3 n LEU 58 Ca 0.03 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 2js3 n LEU 58 Cb 0.17 0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.34 2js3 n LEU 58 CO 0.14 0.28 -0.39 0.00 -1.11 0.00 0.00 177.39 176.30 2js3 n GLY 60 N 2.02 0.73 3.72 0.00 0.00 0.37 -5.03 105.19 107.00 2js3 n GLY 60 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 3.24 -0.18 4.61 0.00 -1.23 -4.86 121.76 121.34 2js3 s ALA 61 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 2js3 s ALA 61 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2js3 s ALA 61 CO 0.00 -0.08 -0.08 -1.12 0.00 0.00 0.00 175.76 174.48 2js3 s SER 62 N 0.36 4.20 -0.10 0.00 0.01 -1.26 -0.61 113.70 116.29 2js3 s SER 62 Ca 0.47 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.37 2js3 s SER 62 Cb -0.22 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 2js3 s SER 62 CO 0.28 0.07 -0.03 -0.69 0.41 0.00 0.00 173.24 173.28 2js3 s VAL 63 N 0.92 4.01 0.14 3.43 1.01 0.16 -4.99 120.40 125.07 2js3 s VAL 63 Ca -0.02 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 2js3 s VAL 63 Cb -0.15 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 2js3 s VAL 63 CO 0.00 0.57 1.55 1.55 0.00 0.00 0.00 175.10 178.77 2js3 h PRO 64 N 5.66 -0.30 0.00 2.72 0.13 -1.91 -0.04 132.00 138.25 2js3 h PRO 64 Ca -0.44 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2js3 h PRO 64 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2js3 h PRO 64 CO 0.56 -0.20 0.00 1.87 -0.23 0.00 0.00 178.00 180.01 2js3 n TRP 65 N -5.36 -0.00 -3.64 1.56 -0.00 -1.26 -3.36 117.44 105.37 2js3 n TRP 65 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.09 2js3 n TRP 65 Cb 0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.55 2js3 n TRP 65 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2js3 s LEU 66 N -1.28 5.54 0.00 5.87 1.43 -1.26 -4.74 118.68 124.23 2js3 s LEU 66 Ca 0.00 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 50.73 2js3 s LEU 66 Cb 0.00 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2js3 s LEU 66 CO 0.00 -0.53 0.00 1.67 0.23 0.00 0.00 176.35 177.72 2js3 n GLN 67 N 4.21 0.00 -3.31 1.70 7.27 -1.26 -4.95 117.38 121.04 2js3 n GLN 67 Ca 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.99 2js3 n GLN 67 Cb 0.40 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.00 2js3 n GLN 67 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2js3 s THR 68 N 0.46 -0.60 0.57 1.69 2.01 -1.26 0.19 115.64 118.69 2js3 s THR 68 Ca 0.00 -0.43 0.26 0.00 0.31 0.00 0.00 61.69 61.83 2js3 s THR 68 Cb 0.00 -0.82 0.33 0.00 0.01 0.00 0.00 72.50 72.02 2js3 s THR 68 CO 0.00 -0.33 2.22 1.23 -0.69 0.00 0.00 174.62 177.05 2js3 h GLY 69 N 7.79 0.00 -1.58 4.40 0.00 -1.99 -1.89 103.07 109.81 2js3 h GLY 69 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2js3 h GLY 69 CO 0.23 0.00 -0.12 1.34 0.00 0.00 0.00 176.54 177.99 2js3 n ASP 70 N -4.04 2.63 -0.96 0.19 2.03 -1.26 -4.05 116.55 111.09 2js3 n ASP 70 Ca -0.03 -1.81 0.11 0.00 0.52 0.00 0.00 54.79 53.58 2js3 n ASP 70 Cb 0.09 0.13 0.25 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.91 2.27 -2.95 -0.67 -0.58 -0.71 -4.89 120.64 114.01 2js3 n GLU 71 Ca 0.12 -1.90 -0.29 0.00 -0.42 0.00 0.00 57.16 54.66 2js3 n GLU 71 Cb 0.53 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.90 2js3 n GLU 71 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2js3 s ILE 72 N -1.63 4.87 0.19 -3.67 2.07 -1.24 -5.02 121.20 116.77 2js3 s ILE 72 Ca 0.36 0.40 -0.32 0.00 -1.41 0.00 0.00 60.65 59.69 2js3 s ILE 72 Cb 0.21 -3.75 -0.11 0.00 0.13 0.00 0.00 42.46 38.94 2js3 s ILE 72 CO 0.30 -0.52 1.64 -0.54 -1.91 0.00 0.00 174.94 173.91 2js3 s LYS 73 N -3.91 4.17 0.59 3.50 -0.14 -1.26 -5.01 119.74 117.69 2js3 s LYS 73 Ca 0.49 2.48 0.09 0.00 -1.36 0.00 0.00 55.97 57.66 2js3 s LYS 73 Cb -0.10 -3.11 0.09 0.00 -1.68 0.00 0.00 37.83 33.03 2js3 s LYS 73 CO 0.33 -0.67 0.82 -1.01 -0.76 0.00 0.00 175.35 174.06 2js3 s HIS 74 N 1.12 1.36 0.01 3.18 3.76 -1.26 -4.95 115.29 118.51 2js3 s HIS 74 Ca 0.72 -0.70 -0.09 0.00 -0.15 0.00 0.00 55.06 54.83 2js3 s HIS 74 Cb -0.47 -2.27 -0.05 0.00 1.11 0.00 0.00 32.58 30.90 2js3 s HIS 74 CO 0.32 -1.24 0.31 0.00 -0.85 0.00 0.00 174.74 173.29 2js3 s ALA 75 N -2.72 3.79 -0.32 -1.40 0.00 -1.26 -4.98 121.76 114.86 2js3 s ALA 75 Ca 0.63 -0.46 0.27 0.00 0.00 0.00 0.00 51.96 52.40 2js3 s ALA 75 Cb -0.05 -2.17 1.02 0.00 0.00 0.00 0.00 23.12 21.91 2js3 s ALA 75 CO 0.40 0.59 1.80 -0.44 0.00 0.00 0.00 175.76 178.11 2js3 h ASP 76 N 4.21 0.00 -0.19 0.00 3.32 -2.02 -2.77 116.42 118.97 2js3 h ASP 76 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2js3 h ASP 76 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2js3 h ASP 76 CO 0.64 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.49 2js3 n ASP 77 N -2.60 2.58 -4.74 6.45 2.03 -1.26 -4.96 116.55 114.05 2js3 n ASP 77 Ca 0.02 -1.75 -0.40 0.00 0.52 0.00 0.00 54.79 53.17 2js3 n ASP 77 Cb 0.31 -0.12 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 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 5.53 0.03 -0.98 0.00 0.11 -1.94 -1.52 132.00 133.23 2js3 h PRO 79 Ca -0.44 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.79 2js3 h PRO 79 Cb 1.21 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2js3 h PRO 79 CO 0.71 0.02 0.62 0.28 -0.21 0.00 0.00 178.00 179.42 2js3 h VAL 80 N 0.03 0.92 -0.14 3.15 2.07 -1.93 0.40 116.25 120.74 2js3 h VAL 80 Ca 0.60 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.69 2js3 h VAL 80 Cb 2.35 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2js3 h VAL 80 CO -0.04 0.17 -0.32 0.58 0.02 0.00 0.00 177.57 177.99 2js3 h VAL 81 N 0.95 1.36 -0.38 2.57 2.07 -1.57 -2.71 116.25 118.55 2js3 h VAL 81 Ca 0.48 -1.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.28 2js3 h VAL 81 Cb 0.50 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2js3 h VAL 81 CO -0.25 0.48 -0.24 0.40 0.02 0.00 0.00 177.57 177.97 2js3 h ILE 82 N 0.08 1.28 -0.73 4.57 1.08 -1.47 -2.89 117.51 119.43 2js3 h ILE 82 Ca -0.00 -1.40 0.03 0.00 -0.39 0.00 0.00 64.86 63.10 2js3 h ILE 82 Cb 0.92 1.34 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 2js3 h ILE 82 CO 0.07 0.46 0.48 0.00 -0.69 0.00 0.00 178.15 178.48 2js3 h ALA 83 N 0.79 1.56 -0.54 1.87 0.00 -0.28 -1.31 119.26 121.35 2js3 h ALA 83 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2js3 h ALA 83 Cb 0.81 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2js3 h ALA 83 CO 0.07 0.37 0.25 0.87 0.00 0.00 0.00 179.25 180.81 2js3 h LYS 84 N 0.91 0.79 -0.74 0.00 1.57 -1.30 -0.02 116.57 117.78 2js3 h LYS 84 Ca 0.29 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2js3 h LYS 84 Cb 0.03 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2js3 h LYS 84 CO -0.08 0.66 0.40 1.96 -0.57 0.00 0.00 179.45 181.82 2js3 h GLN 85 N 0.73 1.03 -0.16 3.15 4.20 -1.08 -1.44 115.11 121.53 2js3 h GLN 85 Ca 0.18 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 2js3 h GLN 85 Cb 0.14 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2js3 h GLN 85 CO -0.02 0.76 -0.52 0.82 -0.67 0.00 0.00 178.83 179.20 2js3 h ILE 86 N 1.03 1.33 0.00 2.54 2.04 -0.89 -3.16 117.51 120.40 2js3 h ILE 86 Ca 0.26 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.35 2js3 h ILE 86 Cb 0.03 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2js3 h ILE 86 CO -0.04 0.55 0.00 0.17 0.00 0.00 0.00 178.15 178.83 2js3 h LEU 87 N 0.31 0.00 -7.98 1.44 8.10 -0.77 -3.38 115.31 113.03 2js3 h LEU 87 Ca -0.02 0.00 -0.57 0.00 0.11 0.00 0.00 57.88 57.40 2js3 h LEU 87 Cb 1.14 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.28 2js3 h LEU 87 CO 0.11 0.00 1.71 -0.44 -4.11 0.00 0.00 178.44 175.71 2js3 s SER 88 N -4.72 6.33 -1.01 0.17 0.01 -0.56 -4.91 113.70 109.00 2js3 s SER 88 Ca 0.06 -1.90 -0.23 0.00 1.31 0.00 0.00 55.95 55.19 2js3 s SER 88 Cb 0.10 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2js3 s SER 88 CO 0.50 -1.69 1.78 -0.55 0.41 0.00 0.00 173.24 173.70 2js3 s SER 89 N 5.11 5.67 -0.22 2.44 0.15 -1.26 -4.83 113.70 120.75 2js3 s SER 89 Ca 0.55 -1.21 -0.28 0.00 0.70 0.00 0.00 55.95 55.71 2js3 s SER 89 Cb 0.01 -2.57 0.14 0.00 -1.71 0.00 0.00 66.02 61.90 2js3 s SER 89 CO 0.03 -2.30 1.12 0.00 1.20 0.00 0.00 173.24 173.28 2js3 s ARG 90 N 6.10 0.42 -0.11 5.44 1.70 -1.26 -5.12 118.95 126.11 2js3 s ARG 90 Ca 0.61 0.20 -0.29 0.00 -0.47 0.00 0.00 55.73 55.79 2js3 s ARG 90 Cb -0.03 0.20 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 2js3 s ARG 90 CO -0.01 -0.11 1.98 -2.14 -1.08 0.00 0.00 175.30 173.95 2js3 s PRO 91 N -0.72 3.69 -0.15 3.89 0.02 -1.26 -4.98 135.00 135.49 2js3 s PRO 91 Ca 0.02 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.24 2js3 s PRO 91 Cb -0.02 -4.21 0.01 0.00 0.02 0.00 0.00 34.50 30.29 2js3 s PRO 91 CO -0.03 -1.46 -0.18 0.15 -0.33 0.00 0.00 177.00 175.15 2js3 s LYS 92 N 5.21 3.12 0.21 5.54 -0.14 -1.26 -5.12 119.74 127.29 2js3 s LYS 92 Ca 0.89 -0.80 -0.02 0.00 -1.36 0.00 0.00 55.97 54.68 2js3 s LYS 92 Cb -0.35 -2.55 0.05 0.00 -1.68 0.00 0.00 37.83 33.30 2js3 s LYS 92 CO 0.36 -0.02 0.29 -0.11 -0.76 0.00 0.00 175.35 175.11 2js3 n LEU 93 N 4.14 0.00 -4.56 3.17 7.94 -1.26 -4.92 117.00 121.51 2js3 n LEU 93 Ca -0.20 -0.41 -0.28 0.00 -1.11 0.00 0.00 56.01 54.02 2js3 n LEU 93 Cb 0.51 -0.21 -0.05 0.00 0.53 0.00 0.00 43.42 44.21 2js3 n LEU 93 CO 0.28 -0.69 1.40 -1.38 -1.11 0.00 0.00 177.39 175.89 2js3 s HIS 94 N -1.26 1.66 -0.69 1.96 -3.43 -1.26 -4.85 115.29 107.42 2js3 s HIS 94 Ca 0.17 0.87 0.05 0.00 -0.80 0.00 0.00 55.06 55.35 2js3 s HIS 94 Cb -0.01 -3.96 0.17 0.00 -1.43 0.00 0.00 32.58 27.36 2js3 s HIS 94 CO 0.12 -1.86 0.49 0.00 -2.00 0.00 0.00 174.74 171.49 2js3 s ALA 95 N 10.59 3.73 -0.26 -1.38 0.00 -1.26 -5.37 121.76 127.80 2js3 s ALA 95 Ca 0.73 -3.79 0.02 0.00 0.00 0.00 0.00 51.96 48.92 2js3 s ALA 95 Cb -0.09 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.90 2js3 s ALA 95 CO 0.05 -2.09 0.57 0.28 0.00 0.00 0.00 175.76 174.57