#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 1.85 3.52 3.03 0.00 -1.26 -4.97 105.19 107.37 2js3 n GLY 2 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.92 6.60 -0.60 1.61 1.04 -1.26 -4.96 113.70 114.21 2js3 s SER 3 Ca 0.22 -1.80 -0.25 0.00 0.48 0.00 0.00 55.95 54.60 2js3 s SER 3 Cb 0.24 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.89 2js3 s SER 3 CO -0.07 -1.31 1.02 -0.94 0.98 0.00 0.00 173.24 172.93 2js3 s SER 4 N 4.40 6.30 -0.90 7.02 1.04 -1.26 -4.96 113.70 125.34 2js3 s SER 4 Ca 0.43 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.30 2js3 s SER 4 Cb -0.01 -2.47 0.20 0.00 0.10 0.00 0.00 66.02 63.85 2js3 s SER 4 CO -0.08 -1.38 0.92 -1.00 0.98 0.00 0.00 173.24 172.69 2js3 s HIS 5 N 4.33 3.66 -0.10 5.02 4.02 -1.26 -5.02 115.29 125.95 2js3 s HIS 5 Ca 0.31 -1.94 -0.29 0.00 1.02 0.00 0.00 55.06 54.16 2js3 s HIS 5 Cb -0.12 -3.95 -0.06 0.00 -1.02 0.00 0.00 32.58 27.43 2js3 s HIS 5 CO 0.18 -1.12 1.80 -1.58 1.02 0.00 0.00 174.74 175.04 2js3 s HIS 6 N 0.65 1.72 -0.11 1.40 2.46 -1.26 -4.96 115.29 115.19 2js3 s HIS 6 Ca 0.24 0.16 0.02 0.00 0.47 0.00 0.00 55.06 55.94 2js3 s HIS 6 Cb -0.08 -4.02 0.02 0.00 -0.13 0.00 0.00 32.58 28.36 2js3 s HIS 6 CO -0.09 -4.10 -0.15 -3.38 -2.47 0.00 0.00 174.74 164.56 2js3 s HIS 7 N 5.02 1.97 -0.56 3.88 -0.00 -1.26 -5.06 115.29 119.28 2js3 s HIS 7 Ca 0.80 -0.94 0.04 0.00 -0.00 0.00 0.00 55.06 54.97 2js3 s HIS 7 Cb -0.33 -1.43 0.14 0.00 -0.00 0.00 0.00 32.58 30.96 2js3 s HIS 7 CO 0.33 -0.49 0.33 -1.58 -0.00 0.00 0.00 174.74 173.33 2js3 s HIS 8 N 1.03 3.17 -0.13 0.38 2.46 -1.26 -5.06 115.29 115.88 2js3 s HIS 8 Ca -0.06 -3.16 -0.06 0.00 0.47 0.00 0.00 55.06 52.26 2js3 s HIS 8 Cb -0.15 -2.69 0.05 0.00 -0.13 0.00 0.00 32.58 29.67 2js3 s HIS 8 CO -0.02 -0.69 0.29 -1.58 -2.47 0.00 0.00 174.74 170.27 2js3 s HIS 9 N -0.57 -0.42 -0.48 3.88 5.65 -1.26 -5.11 115.29 116.98 2js3 s HIS 9 Ca 0.19 0.95 -0.25 0.00 0.25 0.00 0.00 55.06 56.20 2js3 s HIS 9 Cb -0.19 0.10 0.03 0.00 -1.18 0.00 0.00 32.58 31.34 2js3 s HIS 9 CO -0.05 -0.28 0.90 -1.58 -0.65 0.00 0.00 174.74 173.08 2js3 s HIS 10 N 1.44 2.91 0.17 3.88 2.46 -1.26 -5.00 115.29 119.90 2js3 s HIS 10 Ca -0.08 0.26 -0.33 0.00 0.47 0.00 0.00 55.06 55.38 2js3 s HIS 10 Cb -0.10 -3.93 -0.13 0.00 -0.13 0.00 0.00 32.58 28.29 2js3 s HIS 10 CO -0.10 -1.12 1.61 0.43 -2.47 0.00 0.00 174.74 173.08 2js3 n SER 11 N 7.13 3.29 -2.28 9.88 7.64 -1.26 -5.00 113.62 133.01 2js3 n SER 11 Ca 0.05 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2js3 n SER 11 Cb 0.48 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2js3 n SER 11 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2js3 n SER 12 N 3.51 0.00 0.00 6.43 7.64 -1.26 -5.09 113.62 124.85 2js3 n SER 12 Ca 0.17 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2js3 n SER 12 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2js3 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2js3 n GLY 13 N 5.00 4.42 0.00 0.23 0.00 -1.26 -4.65 105.19 108.93 2js3 n GLY 13 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.81 -1.41 0.00 1.61 1.85 -1.26 -5.03 116.66 110.61 2js3 n ARG 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2js3 n ARG 14 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 -0.01 0.00 -3.15 2.89 1.02 -1.26 -4.79 120.64 115.34 2js3 n GLU 15 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2js3 n GLU 15 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2js3 n GLU 15 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2js3 s ASN 16 N -4.00 -1.03 -0.22 1.62 4.22 -1.26 -5.05 114.94 109.23 2js3 s ASN 16 Ca 0.00 0.37 -0.03 0.00 -2.14 0.00 0.00 52.86 51.05 2js3 s ASN 16 Cb 0.00 1.75 -0.01 0.00 1.28 0.00 0.00 41.25 44.28 2js3 s ASN 16 CO 0.00 -0.19 -0.06 -0.76 -2.04 0.00 0.00 177.10 174.05 2js3 s LEU 17 N 2.89 2.83 0.94 3.54 1.43 -1.26 -5.11 118.68 123.95 2js3 s LEU 17 Ca 0.14 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 2js3 s LEU 17 Cb -0.10 -1.71 0.16 0.00 0.03 0.00 0.00 46.19 44.57 2js3 s LEU 17 CO -0.20 -0.02 1.10 -0.47 0.23 0.00 0.00 176.35 176.98 2js3 s TYR 18 N 1.46 2.26 0.64 0.29 5.04 -1.26 -4.58 117.35 121.20 2js3 s TYR 18 Ca 0.06 1.07 -0.17 0.00 -2.44 0.00 0.00 57.07 55.58 2js3 s TYR 18 Cb -0.14 -3.23 -0.03 0.00 0.35 0.00 0.00 41.96 38.90 2js3 s TYR 18 CO -0.04 -2.61 0.93 1.19 -1.34 0.00 0.00 175.55 173.68 2js3 n PHE 19 N -3.99 0.66 0.00 4.97 3.72 -1.26 -2.27 117.46 119.28 2js3 n PHE 19 Ca 0.06 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 2js3 n PHE 19 Cb 0.57 -2.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.00 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 -1.24 0.00 -2.17 -1.08 7.27 -1.26 -4.64 117.38 114.26 2js3 n GLN 20 Ca 0.14 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.89 2js3 n GLN 20 Cb 0.48 -0.05 0.02 0.00 2.41 0.00 0.00 30.24 33.10 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 5.87 3.52 1.69 0.00 -0.96 -5.04 105.19 110.27 2js3 n GLY 21 Ca 0.00 -2.63 -0.20 0.00 0.00 0.00 0.00 46.02 43.19 2js3 n GLY 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2js3 n MET 22 N -0.55 0.17 -0.64 1.61 2.81 -1.19 -4.31 117.12 115.02 2js3 n MET 22 Ca 0.46 -2.58 0.00 0.00 -1.81 0.00 0.00 57.70 53.78 2js3 n MET 22 Cb 0.54 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 2js3 n MET 22 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2js3 n THR 23 N -2.54 0.00 0.22 2.03 5.66 -1.26 -5.03 114.28 113.36 2js3 n THR 23 Ca 0.15 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.98 2js3 n THR 23 Cb 0.54 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.23 2js3 n THR 23 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2js3 h ASP 24 N 0.00 -1.23 -0.53 1.09 3.58 -2.02 -2.84 116.42 114.47 2js3 h ASP 24 Ca 0.00 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2js3 h ASP 24 Cb 0.00 0.42 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 2js3 h ASP 24 CO 0.00 -0.57 0.25 0.74 -2.88 0.00 0.00 179.24 176.78 2js3 h THR 25 N -0.83 1.20 -0.71 2.25 2.02 -1.98 -2.43 112.91 112.42 2js3 h THR 25 Ca -0.03 -0.59 0.11 0.00 0.77 0.00 0.00 66.41 66.68 2js3 h THR 25 Cb 0.76 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 2js3 h THR 25 CO -0.12 0.24 0.47 0.00 0.37 0.00 0.00 175.52 176.48 2js3 h ALA 26 N 1.47 1.96 -0.19 6.16 0.00 -1.81 -0.52 119.26 126.34 2js3 h ALA 26 Ca 0.20 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2js3 h ALA 26 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2js3 h ALA 26 CO -0.02 -0.13 -0.46 0.00 0.00 0.00 0.00 179.25 178.64 2js3 h ALA 27 N 1.65 0.86 -0.03 0.00 0.00 -1.35 -2.98 119.26 117.40 2js3 h ALA 27 Ca 0.34 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2js3 h ALA 27 Cb 0.61 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2js3 h ALA 27 CO -0.11 0.66 -0.92 1.49 0.00 0.00 0.00 179.25 180.36 2js3 h GLU 28 N 0.38 0.54 -0.15 0.00 4.57 -1.14 -2.17 114.58 116.60 2js3 h GLU 28 Ca 0.02 -0.54 -0.18 0.00 -1.18 0.00 0.00 59.36 57.49 2js3 h GLU 28 Cb 0.96 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2js3 h GLU 28 CO 0.08 1.17 -0.63 -0.44 -1.18 0.00 0.00 179.01 178.01 2js3 h ASP 29 N 0.32 0.63 -0.44 1.04 3.32 -1.46 0.20 116.42 120.04 2js3 h ASP 29 Ca -0.08 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 2js3 h ASP 29 Cb 1.55 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 2js3 h ASP 29 CO 0.17 1.10 -0.23 0.58 -1.72 0.00 0.00 179.24 179.14 2js3 h VAL 30 N 0.40 1.27 -0.74 -1.35 2.07 -1.56 -2.32 116.25 114.02 2js3 h VAL 30 Ca -0.01 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2js3 h VAL 30 Cb 1.20 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 2js3 h VAL 30 CO 0.12 0.48 0.40 -0.09 0.02 0.00 0.00 177.57 178.50 2js3 h ARG 31 N 0.82 1.02 -0.65 1.57 2.43 -1.20 -2.53 114.38 115.84 2js3 h ARG 31 Ca 0.10 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2js3 h ARG 31 Cb 0.80 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 2js3 h ARG 31 CO 0.07 0.75 0.39 -0.22 -1.51 0.00 0.00 179.97 179.45 2js3 h LYS 32 N 1.03 0.75 -0.31 0.20 3.64 -0.21 -1.31 116.57 120.35 2js3 h LYS 32 Ca 0.26 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2js3 h LYS 32 Cb 0.03 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2js3 h LYS 32 CO -0.04 0.49 0.18 0.82 -2.27 0.00 0.00 179.45 178.63 2js3 h ILE 33 N 0.77 1.12 -0.18 2.00 2.04 -1.02 -2.48 117.51 119.76 2js3 h ILE 33 Ca 0.26 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2js3 h ILE 33 Cb 0.04 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2js3 h ILE 33 CO -0.11 0.12 0.02 0.00 0.00 0.00 0.00 178.15 178.18 2js3 h ALA 34 N 1.06 1.72 -0.10 1.87 0.00 -1.11 -2.36 119.26 120.34 2js3 h ALA 34 Ca 0.11 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2js3 h ALA 34 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2js3 h ALA 34 CO -0.02 0.22 -0.64 1.15 0.00 0.00 0.00 179.25 179.96 2js3 h THR 35 N 0.25 1.37 0.00 0.00 2.02 -0.82 -2.91 112.91 112.81 2js3 h THR 35 Ca 0.06 -1.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.23 2js3 h THR 35 Cb 0.13 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2js3 h THR 35 CO -0.00 0.60 -0.10 0.00 0.37 0.00 0.00 175.52 176.39 2js3 h ALA 36 N 1.03 1.47 0.00 6.16 0.00 -1.02 -2.68 119.26 124.23 2js3 h ALA 36 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2js3 h ALA 36 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2js3 h ALA 36 CO 0.11 0.12 -0.12 -0.07 0.00 0.00 0.00 179.25 179.29 2js3 h LEU 37 N 0.00 0.00 -0.93 0.00 3.38 -1.47 0.15 115.31 116.45 2js3 h LEU 37 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2js3 h LEU 37 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2js3 h LEU 37 CO 0.01 0.12 -0.47 -0.07 0.09 0.00 0.00 178.44 178.13 2js3 h LEU 38 N 0.00 0.16 0.00 1.67 -0.00 -1.62 -2.77 115.31 112.75 2js3 h LEU 38 Ca -0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2js3 h LEU 38 Cb 0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2js3 h LEU 38 CO 0.02 0.61 -0.90 0.29 -0.00 0.00 0.00 178.44 178.46 2js3 n LYS 39 N -3.98 0.50 -1.95 1.13 5.02 -0.60 -4.70 118.16 113.59 2js3 n LYS 39 Ca -0.02 0.47 -0.26 0.00 -2.02 0.00 0.00 58.31 56.48 2js3 n LYS 39 Cb 0.51 -1.65 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2js3 n LYS 39 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2js3 n THR 40 N -4.53 2.72 -2.06 -0.18 -1.04 0.43 -4.33 114.28 105.30 2js3 n THR 40 Ca -0.17 -4.07 0.00 0.00 -2.04 0.00 0.00 64.05 57.77 2js3 n THR 40 Cb 0.44 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.72 2.06 -3.95 2.41 0.00 -1.04 -4.84 120.51 114.42 2js3 n ALA 41 Ca 0.47 -1.07 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 2js3 n ALA 41 Cb 0.88 -0.49 -0.15 0.00 0.00 0.00 0.00 19.45 19.68 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 0.00 1.62 0.28 0.00 -1.09 -1.26 -4.96 121.20 115.80 2js3 s ILE 42 Ca 0.04 -1.32 0.08 0.00 -2.23 0.00 0.00 60.65 57.22 2js3 s ILE 42 Cb 0.04 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 2js3 s ILE 42 CO -0.02 -0.12 0.15 -1.83 -1.23 0.00 0.00 174.94 171.89 2js3 s GLU 43 N 1.35 2.63 -0.13 2.79 1.03 -1.26 -5.02 118.70 120.08 2js3 s GLU 43 Ca -0.05 -1.28 0.03 0.00 0.03 0.00 0.00 54.97 53.70 2js3 s GLU 43 Cb -0.19 -2.37 0.01 0.00 -0.80 0.00 0.00 34.13 30.77 2js3 s GLU 43 CO -0.06 0.29 -0.22 -1.50 -1.33 0.00 0.00 175.26 172.44 2js3 s ILE 44 N -2.26 2.10 -0.16 1.83 -1.16 -1.26 -1.57 121.20 118.72 2js3 s ILE 44 Ca 0.35 -0.97 -0.15 0.00 -0.51 0.00 0.00 60.65 59.36 2js3 s ILE 44 Cb -0.06 -1.83 -0.04 0.00 0.61 0.00 0.00 42.46 41.13 2js3 s ILE 44 CO 0.23 0.55 0.36 0.68 -2.81 0.00 0.00 174.94 173.95 2js3 s VAL 45 N 0.71 5.26 0.06 4.00 -7.23 0.15 -4.89 120.40 118.46 2js3 s VAL 45 Ca -0.09 0.68 -0.21 0.00 -1.81 0.00 0.00 61.98 60.55 2js3 s VAL 45 Cb -0.16 -3.70 -0.06 0.00 0.56 0.00 0.00 36.38 33.02 2js3 s VAL 45 CO 0.00 0.35 0.62 -0.44 -0.31 0.00 0.00 175.10 175.33 2js3 s SER 46 N 0.61 7.09 0.22 4.85 0.01 -1.26 -1.08 113.70 124.14 2js3 s SER 46 Ca 0.19 1.29 -0.23 0.00 1.31 0.00 0.00 55.95 58.52 2js3 s SER 46 Cb -0.14 -2.39 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 2js3 s SER 46 CO 0.06 0.18 0.79 -1.61 0.41 0.00 0.00 173.24 173.07 2js3 s GLU 47 N -0.69 4.45 0.18 12.44 2.02 0.92 -4.93 118.70 133.08 2js3 s GLU 47 Ca 0.31 1.08 -0.11 0.00 0.02 0.00 0.00 54.97 56.27 2js3 s GLU 47 Cb -0.20 -3.02 0.08 0.00 0.10 0.00 0.00 34.13 31.09 2js3 s GLU 47 CO 0.20 0.45 1.72 1.49 0.02 0.00 0.00 175.26 179.13 2js3 h GLU 48 N 3.74 0.94 -0.01 1.61 4.81 -1.97 -2.97 114.58 120.73 2js3 h GLU 48 Ca -0.47 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 58.57 2js3 h GLU 48 Cb 1.20 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2js3 h GLU 48 CO 0.65 0.81 -0.02 0.22 -0.73 0.00 0.00 179.01 179.95 2js3 h ASP 49 N 0.87 0.03 0.00 1.04 3.58 -2.05 -3.48 116.42 116.41 2js3 h ASP 49 Ca 0.20 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2js3 h ASP 49 Cb 0.24 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2js3 h ASP 49 CO -0.01 0.60 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 2js3 n GLY 50 N 0.47 0.54 3.62 -0.78 0.00 -1.12 -5.19 105.19 102.72 2js3 n GLY 50 Ca -0.09 0.50 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 2js3 n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2js3 s GLY 51 N 0.00 -0.26 -0.24 -0.02 0.00 -1.25 -4.86 107.32 100.70 2js3 s GLY 51 Ca 0.00 1.71 -0.03 0.00 0.00 0.00 0.00 44.72 46.40 2js3 s GLY 51 CO 0.00 0.56 0.08 0.00 0.00 0.00 0.00 173.10 173.74 2js3 s ALA 52 N -2.19 0.94 -0.23 3.20 0.00 -1.26 -0.06 121.76 122.16 2js3 s ALA 52 Ca 0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2js3 s ALA 52 Cb -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2js3 s ALA 52 CO -0.03 -1.41 -0.04 -1.01 0.00 0.00 0.00 175.76 173.26 2js3 s HIS 53 N 1.91 2.99 -0.58 0.00 3.76 -0.24 -4.25 115.29 118.89 2js3 s HIS 53 Ca 0.04 -1.16 -0.27 0.00 -0.15 0.00 0.00 55.06 53.53 2js3 s HIS 53 Cb -0.17 -2.10 0.03 0.00 1.11 0.00 0.00 32.58 31.46 2js3 s HIS 53 CO -0.19 -0.62 1.14 1.21 -0.85 0.00 0.00 174.74 175.43 2js3 s ASN 54 N 1.43 6.42 -0.06 1.40 2.47 -0.93 0.35 114.94 126.02 2js3 s ASN 54 Ca 0.04 -0.00 0.05 0.00 0.42 0.00 0.00 52.86 53.36 2js3 s ASN 54 Cb -0.15 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.12 2js3 s ASN 54 CO -0.04 -1.43 -0.20 -1.58 -3.72 0.00 0.00 177.10 170.13 2js3 s GLN 55 N 4.75 2.18 -0.40 0.43 0.74 -0.61 0.80 119.66 127.56 2js3 s GLN 55 Ca 0.40 -0.71 -0.28 0.00 0.05 0.00 0.00 55.36 54.82 2js3 s GLN 55 Cb -0.09 -1.82 0.02 0.00 1.10 0.00 0.00 33.01 32.22 2js3 s GLN 55 CO 0.24 0.25 1.03 0.00 -0.55 0.00 0.00 175.29 176.26 2js3 n LYS 57 N 7.16 0.14 -3.47 0.00 -0.00 -1.26 -3.43 118.16 117.30 2js3 n LYS 57 Ca 0.10 0.60 -0.29 0.00 -0.00 0.00 0.00 58.31 58.72 2js3 n LYS 57 Cb 0.48 -1.92 -0.12 0.00 -0.00 0.00 0.00 35.03 33.47 2js3 n LYS 57 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2js3 s LEU 58 N -4.42 0.87 0.00 -5.58 0.05 -1.26 -4.78 118.68 103.57 2js3 s LEU 58 Ca -0.01 -2.04 0.00 0.00 0.05 0.00 0.00 54.13 52.13 2js3 s LEU 58 Cb 0.06 -0.36 0.00 0.00 -2.05 0.00 0.00 46.19 43.84 2js3 s LEU 58 CO 0.22 -0.33 0.00 0.00 -0.55 0.00 0.00 176.35 175.69 2js3 n GLY 60 N 0.00 0.73 3.36 0.00 0.00 -1.22 -4.71 105.19 103.35 2js3 n GLY 60 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 2.27 -0.18 4.61 0.00 -1.26 -5.05 121.76 120.14 2js3 s ALA 61 Ca 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 2js3 s ALA 61 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2js3 s ALA 61 CO 0.00 0.52 0.00 0.45 0.00 0.00 0.00 175.76 176.73 2js3 s SER 62 N -1.69 5.00 -0.10 0.00 0.15 -1.26 -2.56 113.70 113.25 2js3 s SER 62 Ca 0.12 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 2js3 s SER 62 Cb -0.10 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 2js3 s SER 62 CO 0.04 0.12 0.12 -0.69 1.20 0.00 0.00 173.24 174.04 2js3 s VAL 63 N 0.65 5.28 0.23 4.45 1.01 0.24 -4.99 120.40 127.28 2js3 s VAL 63 Ca -0.00 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 2js3 s VAL 63 Cb -0.14 -3.32 -0.14 0.00 0.00 0.00 0.00 36.38 32.79 2js3 s VAL 63 CO 0.02 0.57 1.34 -0.81 0.00 0.00 0.00 175.10 176.22 2js3 n PRO 64 N 1.85 1.84 -1.90 2.72 -0.04 -1.26 -2.18 135.00 136.03 2js3 n PRO 64 Ca -0.18 0.65 -0.39 0.00 -0.04 0.00 0.00 63.50 63.54 2js3 n PRO 64 Cb 0.54 -2.26 0.02 0.00 -0.04 0.00 0.00 33.50 31.76 2js3 n PRO 64 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2js3 s TRP 65 N -0.18 2.54 -0.37 0.54 -0.00 -1.26 -2.89 118.94 117.31 2js3 s TRP 65 Ca 0.68 1.35 -0.00 0.00 -0.00 0.00 0.00 56.10 58.13 2js3 s TRP 65 Cb -0.69 -3.78 0.00 0.00 -0.00 0.00 0.00 33.47 29.01 2js3 s TRP 65 CO 0.51 -2.59 0.00 1.28 -0.00 0.00 0.00 176.95 176.16 2js3 n LEU 66 N -0.37 -1.22 -4.74 5.86 4.77 -1.26 -5.04 117.00 114.99 2js3 n LEU 66 Ca 0.06 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 2js3 n LEU 66 Cb 0.44 -1.01 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 2js3 n LEU 66 CO 0.55 -0.04 -0.18 -1.10 -1.33 0.00 0.00 177.39 175.29 2js3 s GLN 67 N -4.24 2.39 0.28 3.23 -1.52 -1.14 -5.04 119.66 113.61 2js3 s GLN 67 Ca 0.00 -1.55 -0.03 0.00 -1.95 0.00 0.00 55.36 51.83 2js3 s GLN 67 Cb -0.00 -2.18 0.38 0.00 -0.22 0.00 0.00 33.01 30.99 2js3 s GLN 67 CO 0.00 0.08 1.88 1.15 -0.25 0.00 0.00 175.29 178.16 2js3 h THR 68 N 1.51 1.22 0.00 -0.19 2.02 -1.97 -3.48 112.91 112.02 2js3 h THR 68 Ca -0.44 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2js3 h THR 68 Cb 1.25 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2js3 h THR 68 CO 0.63 0.26 0.00 0.61 0.37 0.00 0.00 175.52 177.39 2js3 n GLY 69 N -1.11 2.15 3.55 2.16 0.00 -1.26 -4.98 105.19 105.70 2js3 n GLY 69 Ca 0.07 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 2js3 n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2js3 s ASP 70 N -4.00 5.82 0.00 1.61 2.15 -1.26 -4.47 116.67 116.51 2js3 s ASP 70 Ca 0.00 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.66 2js3 s ASP 70 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2js3 s ASP 70 CO 0.00 -2.06 0.72 1.21 -0.17 0.00 0.00 175.17 174.87 2js3 n GLU 71 N 9.22 0.00 -4.04 4.34 0.00 -1.26 -5.14 120.64 123.76 2js3 n GLU 71 Ca 0.15 -0.60 -0.10 0.00 0.00 0.00 0.00 57.16 56.62 2js3 n GLU 71 Cb 0.50 0.35 -0.08 0.00 0.00 0.00 0.00 31.44 32.22 2js3 n GLU 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 2js3 s ILE 72 N 0.00 0.07 0.70 6.31 2.07 -1.26 -5.15 121.20 123.94 2js3 s ILE 72 Ca 0.00 -1.59 -0.15 0.00 -1.41 0.00 0.00 60.65 57.49 2js3 s ILE 72 Cb 0.00 -1.97 0.03 0.00 0.13 0.00 0.00 42.46 40.65 2js3 s ILE 72 CO 0.00 -0.31 1.19 -0.75 -1.91 0.00 0.00 174.94 173.16 2js3 s LYS 73 N -4.01 2.32 0.43 3.50 2.47 -1.26 -5.05 119.74 118.15 2js3 s LYS 73 Ca 0.21 1.72 0.03 0.00 -1.56 0.00 0.00 55.97 56.37 2js3 s LYS 73 Cb 0.05 -1.86 -0.02 0.00 -1.46 0.00 0.00 37.83 34.53 2js3 s LYS 73 CO 0.02 -1.69 0.09 -1.01 0.16 0.00 0.00 175.35 172.93 2js3 s HIS 74 N -1.98 1.83 0.72 4.03 3.76 -1.26 -4.96 115.29 117.42 2js3 s HIS 74 Ca 0.74 -1.18 -0.05 0.00 -0.15 0.00 0.00 55.06 54.42 2js3 s HIS 74 Cb -0.28 -1.29 0.09 0.00 1.11 0.00 0.00 32.58 32.20 2js3 s HIS 74 CO 0.43 -0.14 1.01 0.00 -0.85 0.00 0.00 174.74 175.20 2js3 s ALA 75 N -3.11 3.28 0.27 -1.40 0.00 -1.26 -4.99 121.76 114.55 2js3 s ALA 75 Ca 0.19 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2js3 s ALA 75 Cb 0.03 -2.40 0.37 0.00 0.00 0.00 0.00 23.12 21.12 2js3 s ALA 75 CO 0.12 -1.40 1.65 0.22 0.00 0.00 0.00 175.76 176.34 2js3 h ASP 76 N -0.62 0.31 -0.00 0.00 3.58 -1.98 -3.04 116.42 114.67 2js3 h ASP 76 Ca -0.42 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.89 2js3 h ASP 76 Cb 1.29 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2js3 h ASP 76 CO 0.51 0.72 0.00 -0.67 -2.88 0.00 0.00 179.24 176.93 2js3 n ASP 77 N -3.99 2.22 -4.59 2.28 -0.08 -1.26 -5.04 116.55 106.09 2js3 n ASP 77 Ca -0.02 -2.66 -0.48 0.00 -1.51 0.00 0.00 54.79 50.12 2js3 n ASP 77 Cb 0.51 -0.26 -0.05 0.00 2.34 0.00 0.00 41.12 43.66 2js3 n ASP 77 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2js3 h PRO 79 N 11.27 0.00 -0.52 0.00 0.11 -1.92 0.14 132.00 141.08 2js3 h PRO 79 Ca -0.40 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.73 2js3 h PRO 79 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 2js3 h PRO 79 CO 0.97 0.00 0.34 0.28 -0.21 0.00 0.00 178.00 179.39 2js3 h VAL 80 N 0.00 1.09 -0.15 3.15 2.07 -1.91 0.45 116.25 120.95 2js3 h VAL 80 Ca 0.21 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 2js3 h VAL 80 Cb 0.93 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2js3 h VAL 80 CO -0.00 0.12 -0.73 0.58 0.02 0.00 0.00 177.57 177.55 2js3 h VAL 81 N 0.63 1.30 -0.52 2.57 2.07 -1.08 -2.42 116.25 118.81 2js3 h VAL 81 Ca 0.20 -1.98 -0.08 0.00 0.82 0.00 0.00 66.70 65.66 2js3 h VAL 81 Cb 0.03 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2js3 h VAL 81 CO -0.05 0.62 0.02 0.40 0.02 0.00 0.00 177.57 178.58 2js3 h ILE 82 N 0.48 1.26 -0.78 4.57 1.08 -1.25 -3.00 117.51 119.88 2js3 h ILE 82 Ca -0.04 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.43 2js3 h ILE 82 Cb 1.34 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 35.96 2js3 h ILE 82 CO 0.14 0.37 0.47 0.00 -0.69 0.00 0.00 178.15 178.45 2js3 h ALA 83 N 0.95 1.05 -0.78 1.87 0.00 -0.06 -0.23 119.26 122.06 2js3 h ALA 83 Ca 0.15 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2js3 h ALA 83 Cb 0.49 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2js3 h ALA 83 CO 0.02 0.21 0.51 0.87 0.00 0.00 0.00 179.25 180.87 2js3 h LYS 84 N 0.88 0.89 -0.28 0.00 1.57 -1.30 0.25 116.57 118.58 2js3 h LYS 84 Ca 0.33 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 2js3 h LYS 84 Cb 0.13 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2js3 h LYS 84 CO -0.16 0.59 -0.52 1.96 -0.57 0.00 0.00 179.45 180.75 2js3 h GLN 85 N 0.91 0.81 -0.26 3.15 4.20 -1.14 -2.82 115.11 119.95 2js3 h GLN 85 Ca 0.32 -0.50 -0.19 0.00 0.06 0.00 0.00 58.65 58.35 2js3 h GLN 85 Cb 0.12 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2js3 h GLN 85 CO -0.10 1.13 -0.56 0.82 -0.67 0.00 0.00 178.83 179.44 2js3 h ILE 86 N 0.63 1.28 -0.00 2.54 2.04 0.04 -2.95 117.51 121.08 2js3 h ILE 86 Ca 0.02 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.13 2js3 h ILE 86 Cb 1.11 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2js3 h ILE 86 CO 0.11 0.57 -0.01 0.00 0.00 0.00 0.00 178.15 178.83 2js3 n LEU 87 N -4.02 0.14 -4.99 1.44 -0.00 0.78 -4.47 117.00 105.87 2js3 n LEU 87 Ca -0.05 0.01 -0.23 0.00 -0.00 0.00 0.00 56.01 55.74 2js3 n LEU 87 Cb 0.64 -0.05 0.09 0.00 -0.00 0.00 0.00 43.42 44.10 2js3 n LEU 87 CO 0.50 0.02 0.52 -0.55 -0.00 0.00 0.00 177.39 177.88 2js3 s SER 88 N -2.11 4.52 0.00 1.45 0.15 -1.07 -4.95 113.70 111.69 2js3 s SER 88 Ca 0.43 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2js3 s SER 88 Cb 0.22 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2js3 s SER 88 CO 0.39 -1.73 0.00 -1.54 1.20 0.00 0.00 173.24 171.55 2js3 n SER 89 N -2.75 0.00 -4.67 5.45 3.41 -1.26 -5.01 113.62 108.79 2js3 n SER 89 Ca 0.14 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 2js3 n SER 89 Cb 0.60 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2js3 n SER 89 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2js3 s ARG 90 N 0.00 4.17 -0.60 4.33 0.52 -1.26 -4.99 118.95 121.11 2js3 s ARG 90 Ca 0.00 0.20 -0.35 0.00 -0.52 0.00 0.00 55.73 55.06 2js3 s ARG 90 Cb 0.00 -3.54 -0.16 0.00 0.52 0.00 0.00 34.95 31.77 2js3 s ARG 90 CO 0.00 -0.05 2.36 -2.30 0.02 0.00 0.00 175.30 175.33 2js3 n PRO 91 N 4.51 0.45 -0.76 3.54 -0.02 -1.26 -4.79 135.00 136.67 2js3 n PRO 91 Ca -0.08 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2js3 n PRO 91 Cb 0.51 -2.02 0.33 0.00 -0.02 0.00 0.00 33.50 32.30 2js3 n PRO 91 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2js3 n LYS 92 N 8.20 4.19 -0.21 -0.52 4.81 -1.26 -5.05 118.16 128.31 2js3 n LYS 92 Ca 0.52 -2.63 0.03 0.00 -0.87 0.00 0.00 58.31 55.36 2js3 n LYS 92 Cb 0.13 -2.14 -0.01 0.00 0.02 0.00 0.00 35.03 33.04 2js3 n LYS 92 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2js3 n LEU 93 N 0.47 0.00 0.00 3.14 7.99 -1.26 -4.88 117.00 122.45 2js3 n LEU 93 Ca 0.24 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.47 2js3 n LEU 93 Cb 1.06 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 2js3 n LEU 93 CO 0.28 -1.34 0.00 1.41 -1.51 0.00 0.00 177.39 176.23 2js3 n HIS 94 N -1.89 0.00 -2.89 -1.77 8.25 -1.26 -4.83 115.22 110.82 2js3 n HIS 94 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2js3 n HIS 94 Cb 0.10 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.22 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2js3 n ALA 95 N 4.20 -0.90 -1.63 -1.41 0.00 -1.26 -5.29 120.51 114.23 2js3 n ALA 95 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2js3 n ALA 95 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.34 2js3 n ALA 95 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05