#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3z s HIS 2 N 0.00 0.74 -0.02 1.45 -0.00 -1.26 -4.79 115.29 111.41 1j3z s HIS 2 Ca 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 55.06 53.99 1j3z s HIS 2 Cb 0.00 -0.30 -0.04 0.00 -0.00 0.00 0.00 32.58 32.25 1j3z s HIS 2 CO 0.00 -0.66 0.02 -0.51 -0.00 0.00 0.00 174.74 173.59 1j3z s LEU 3 N -3.05 3.64 0.81 5.38 1.02 -1.26 -5.04 118.68 120.18 1j3z s LEU 3 Ca 0.26 0.07 -0.11 0.00 0.02 0.00 0.00 54.13 54.36 1j3z s LEU 3 Cb 0.05 -2.04 0.08 0.00 0.02 0.00 0.00 46.19 44.30 1j3z s LEU 3 CO 0.05 0.30 1.09 0.42 0.02 0.00 0.00 176.35 178.22 1j3z s THR 4 N -1.07 3.10 0.26 5.49 -4.23 -1.26 -4.83 115.64 113.09 1j3z s THR 4 Ca 0.19 0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 1j3z s THR 4 Cb -0.12 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 71.02 1j3z s THR 4 CO 0.09 -0.47 1.80 -0.65 -0.54 0.00 0.00 174.62 174.86 1j3z h PRO 5 N -1.22 0.76 -0.57 3.99 0.11 -1.99 -0.33 132.00 132.75 1j3z h PRO 5 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1j3z h PRO 5 Cb 1.26 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1j3z h PRO 5 CO 0.55 0.50 0.35 0.93 -0.21 0.00 0.00 178.00 180.12 1j3z h GLU 6 N 0.78 0.77 -0.68 1.05 5.08 -1.99 -0.37 114.58 119.21 1j3z h GLU 6 Ca 0.43 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1j3z h GLU 6 Cb 0.46 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1j3z h GLU 6 CO -0.28 0.55 0.15 0.93 -1.00 0.00 0.00 179.01 179.36 1j3z h GLU 7 N 0.77 1.11 -0.83 2.33 5.08 -1.81 -1.50 114.58 119.73 1j3z h GLU 7 Ca 0.20 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1j3z h GLU 7 Cb -0.02 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1j3z h GLU 7 CO -0.04 0.99 0.37 0.87 -1.00 0.00 0.00 179.01 180.21 1j3z h LYS 8 N 1.04 1.21 -0.46 2.33 1.57 -0.76 -1.60 116.57 119.89 1j3z h LYS 8 Ca 0.21 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1j3z h LYS 8 Cb 0.40 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1j3z h LYS 8 CO 0.01 0.95 0.14 0.77 -0.57 0.00 0.00 179.45 180.74 1j3z h SER 9 N 1.19 0.68 -0.52 0.86 0.02 -0.78 -0.80 113.55 114.20 1j3z h SER 9 Ca 0.28 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1j3z h SER 9 Cb 0.16 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1j3z h SER 9 CO -0.03 0.71 0.32 0.00 -1.14 0.00 0.00 176.83 176.69 1j3z h ALA 10 N 0.99 0.66 0.39 3.77 0.00 -1.07 -0.64 119.26 123.37 1j3z h ALA 10 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1j3z h ALA 10 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1j3z h ALA 10 CO -0.00 0.14 -0.19 0.28 0.00 0.00 0.00 179.25 179.48 1j3z h VAL 11 N 0.70 0.62 -0.82 0.00 2.07 -1.08 -2.60 116.25 115.13 1j3z h VAL 11 Ca 0.19 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1j3z h VAL 11 Cb -0.03 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1j3z h VAL 11 CO -0.04 0.01 0.39 0.74 0.02 0.00 0.00 177.57 178.69 1j3z h THR 12 N -0.55 1.25 -0.35 2.57 2.02 -1.06 -1.49 112.91 115.30 1j3z h THR 12 Ca -0.05 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1j3z h THR 12 Cb 0.42 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1j3z h THR 12 CO 0.09 0.31 0.16 0.00 0.37 0.00 0.00 175.52 176.44 1j3z h ALA 13 N 1.26 0.46 -0.39 6.16 0.00 -1.06 -2.40 119.26 123.29 1j3z h ALA 13 Ca 0.28 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1j3z h ALA 13 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1j3z h ALA 13 CO -0.03 0.03 -0.31 1.25 0.00 0.00 0.00 179.25 180.19 1j3z h LEU 14 N 0.43 0.90 -1.22 0.00 5.85 -1.27 -3.20 115.31 116.79 1j3z h LEU 14 Ca 0.12 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 1j3z h LEU 14 Cb 0.15 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1j3z h LEU 14 CO -0.01 1.13 -0.28 -0.25 -0.34 0.00 0.00 178.44 178.68 1j3z h TRP 15 N 0.72 0.19 0.00 1.25 2.91 -1.10 -1.19 115.95 118.73 1j3z h TRP 15 Ca 0.08 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1j3z h TRP 15 Cb 0.87 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 1j3z h TRP 15 CO 0.05 0.45 0.00 0.41 -1.03 0.00 0.00 178.44 178.32 1j3z n GLY 16 N -0.55 -0.81 0.75 2.65 0.00 -0.92 -1.72 105.19 104.60 1j3z n GLY 16 Ca -0.01 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1j3z n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3z n LYS 17 N -2.10 1.81 -3.15 1.61 5.02 -0.45 -4.97 118.16 115.92 1j3z n LYS 17 Ca -0.01 -1.55 -0.39 0.00 -2.02 0.00 0.00 58.31 54.34 1j3z n LYS 17 Cb 0.04 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1j3z n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j3z s VAL 18 N -1.88 4.98 -0.71 -0.18 1.01 -0.70 -5.01 120.40 117.91 1j3z s VAL 18 Ca 0.23 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1j3z s VAL 18 Cb 0.17 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1j3z s VAL 18 CO 0.32 0.35 1.19 0.21 0.00 0.00 0.00 175.10 177.17 1j3z s ASN 19 N 0.26 6.18 0.17 3.32 3.84 -1.26 -4.90 114.94 122.55 1j3z s ASN 19 Ca 0.33 -0.55 -0.11 0.00 0.21 0.00 0.00 52.86 52.74 1j3z s ASN 19 Cb -0.18 -2.52 0.05 0.00 -0.55 0.00 0.00 41.25 38.05 1j3z s ASN 19 CO 0.17 -1.71 1.65 0.58 -2.79 0.00 0.00 177.10 175.00 1j3z h VAL 20 N 6.02 1.26 -0.11 -5.21 2.07 -1.94 -0.39 116.25 117.95 1j3z h VAL 20 Ca -0.28 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.24 1j3z h VAL 20 Cb 1.06 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1j3z h VAL 20 CO 1.25 0.37 -0.01 0.44 0.02 0.00 0.00 177.57 179.64 1j3z h ASP 21 N 0.86 -0.06 -0.16 0.57 3.32 -1.90 0.94 116.42 119.98 1j3z h ASP 21 Ca 0.17 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1j3z h ASP 21 Cb 0.45 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1j3z h ASP 21 CO 0.02 -0.01 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.38 1j3z h GLU 22 N 0.03 0.34 -0.38 3.56 4.81 -1.90 -2.04 114.58 118.99 1j3z h GLU 22 Ca 0.05 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1j3z h GLU 22 Cb 0.06 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1j3z h GLU 22 CO -0.09 0.64 0.04 0.28 -0.73 0.00 0.00 179.01 179.14 1j3z h VAL 23 N 0.02 1.20 -0.21 0.32 2.07 -1.03 -1.63 116.25 116.98 1j3z h VAL 23 Ca 0.04 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1j3z h VAL 23 Cb 0.53 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1j3z h VAL 23 CO 0.02 0.27 0.03 1.23 0.02 0.00 0.00 177.57 179.14 1j3z h GLY 24 N 0.85 0.38 1.02 2.17 0.00 -0.68 0.12 103.07 106.93 1j3z h GLY 24 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1j3z h GLY 24 CO 0.01 0.24 0.47 -1.33 0.00 0.00 0.00 176.54 175.93 1j3z h GLY 25 N 0.14 1.24 0.93 4.60 0.00 -1.18 -1.56 103.07 107.23 1j3z h GLY 25 Ca 0.06 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1j3z h GLY 25 CO 0.01 0.53 -0.07 -2.09 0.00 0.00 0.00 176.54 174.91 1j3z h GLU 26 N 1.16 0.65 -0.29 4.80 4.57 -1.07 -1.41 114.58 123.00 1j3z h GLU 26 Ca 0.30 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1j3z h GLU 26 Cb 0.01 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1j3z h GLU 26 CO -0.05 0.82 -0.08 0.00 -1.18 0.00 0.00 179.01 178.52 1j3z h ALA 27 N 0.82 0.40 -0.55 2.92 0.00 -0.59 -0.57 119.26 121.70 1j3z h ALA 27 Ca 0.09 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1j3z h ALA 27 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1j3z h ALA 27 CO 0.03 0.23 0.12 1.25 0.00 0.00 0.00 179.25 180.88 1j3z h LEU 28 N 0.32 0.84 -0.30 0.00 5.85 -1.31 -0.51 115.31 120.20 1j3z h LEU 28 Ca 0.07 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1j3z h LEU 28 Cb 0.57 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1j3z h LEU 28 CO 0.03 0.86 0.12 1.23 -0.34 0.00 0.00 178.44 180.34 1j3z h GLY 29 N 0.78 0.39 1.50 3.75 0.00 -1.18 -2.23 103.07 106.07 1j3z h GLY 29 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 1j3z h GLY 29 CO 0.00 0.05 -0.17 3.21 0.00 0.00 0.00 176.54 179.64 1j3z h ARG 30 N 0.27 0.59 -0.37 4.80 3.08 -0.89 -0.93 114.38 120.93 1j3z h ARG 30 Ca 0.13 -0.20 0.07 0.00 0.07 0.00 0.00 59.98 60.05 1j3z h ARG 30 Cb 0.08 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 1j3z h ARG 30 CO -0.12 0.73 -0.06 1.25 -1.07 0.00 0.00 179.97 180.70 1j3z h LEU 31 N 0.53 -0.28 -1.33 3.04 5.85 -0.73 0.14 115.31 122.53 1j3z h LEU 31 Ca 0.09 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1j3z h LEU 31 Cb 0.60 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1j3z h LEU 31 CO 0.04 -0.10 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.74 1j3z h LEU 32 N 0.03 0.00 0.05 2.25 3.38 -0.81 -0.54 115.31 119.67 1j3z h LEU 32 Ca 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1j3z h LEU 32 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1j3z h LEU 32 CO -0.36 0.23 -0.74 0.58 0.09 0.00 0.00 178.44 178.25 1j3z h VAL 33 N 0.00 1.37 0.02 1.22 2.07 -0.72 -3.29 116.25 116.92 1j3z h VAL 33 Ca -0.00 -2.35 -0.21 0.00 0.82 0.00 0.00 66.70 64.96 1j3z h VAL 33 Cb 0.65 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1j3z h VAL 33 CO 0.03 0.57 -0.93 0.58 0.02 0.00 0.00 177.57 177.85 1j3z h VAL 34 N -0.75 1.49 -2.62 2.57 2.07 -0.73 -3.36 116.25 114.92 1j3z h VAL 34 Ca -0.17 -2.68 -0.60 0.00 0.82 0.00 0.00 66.70 64.07 1j3z h VAL 34 Cb 1.34 2.53 -0.41 0.00 -1.52 0.00 0.00 31.29 33.22 1j3z h VAL 34 CO -0.01 0.78 -0.70 -1.22 0.02 0.00 0.00 177.57 176.44 1j3z n TYR 35 N -3.64 2.32 0.31 1.57 4.01 -0.22 -4.99 117.16 116.52 1j3z n TYR 35 Ca -0.04 -4.03 0.13 0.00 -0.16 0.00 0.00 57.90 53.80 1j3z n TYR 35 Cb 0.84 -0.43 0.61 0.00 -0.31 0.00 0.00 39.34 40.05 1j3z n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j3z h PRO 36 N 4.96 0.00 0.00 -0.72 0.13 -1.71 -1.39 132.00 133.27 1j3z h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1j3z h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1j3z h PRO 36 CO 0.67 0.00 -0.04 0.11 -0.23 0.00 0.00 178.00 178.51 1j3z h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.83 115.95 113.86 1j3z h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j3z h TRP 37 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.49 1j3z h TRP 37 CO 0.00 0.04 0.00 0.25 0.09 0.00 0.00 178.44 178.82 1j3z n THR 38 N -3.37 0.96 0.23 0.12 -2.24 -0.52 -2.10 114.28 107.36 1j3z n THR 38 Ca -0.02 0.49 0.09 0.00 -2.27 0.00 0.00 64.05 62.34 1j3z n THR 38 Cb 0.17 -1.46 0.41 0.00 -2.10 0.00 0.00 70.33 67.35 1j3z n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3z n GLN 39 N -2.23 0.11 0.30 -0.78 6.02 -0.69 -3.53 117.38 116.58 1j3z n GLN 39 Ca 0.00 0.51 0.18 0.00 -0.01 0.00 0.00 57.00 57.68 1j3z n GLN 39 Cb 0.12 -1.79 1.00 0.00 1.02 0.00 0.00 30.24 30.60 1j3z n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1j3z h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.65 -0.26 114.38 111.48 1j3z h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j3z h ARG 40 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1j3z h ARG 40 CO 0.00 0.00 -0.17 1.19 0.10 0.00 0.00 179.97 181.09 1j3z n PHE 41 N -3.53 0.00 -2.24 4.08 3.72 -1.23 -4.38 117.46 113.87 1j3z n PHE 41 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 1j3z n PHE 41 Cb 0.13 -0.18 0.05 0.00 -0.94 0.00 0.00 39.48 38.54 1j3z n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j3z n PHE 42 N -0.92 1.75 0.24 1.38 3.72 -0.11 -4.78 117.46 118.73 1j3z n PHE 42 Ca 0.13 -1.97 0.07 0.00 -0.05 0.00 0.00 57.45 55.63 1j3z n PHE 42 Cb 0.30 -0.28 0.57 0.00 -0.94 0.00 0.00 39.48 39.14 1j3z n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j3z h GLU 43 N 2.06 0.00 0.00 -1.08 4.39 -1.77 -1.39 114.58 116.79 1j3z h GLU 43 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1j3z h GLU 43 Cb 1.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1j3z h GLU 43 CO 0.44 0.15 0.00 -1.13 -1.16 0.00 0.00 179.01 177.32 1j3z n SER 44 N -4.17 0.00 -0.12 1.42 3.41 -1.26 -3.52 113.62 109.38 1j3z n SER 44 Ca -0.02 0.34 0.15 0.00 -0.26 0.00 0.00 58.87 59.08 1j3z n SER 44 Cb 0.23 -0.43 0.71 0.00 -0.26 0.00 0.00 64.21 64.46 1j3z n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j3z n PHE 45 N -1.43 0.00 -1.66 7.33 3.01 -0.53 -5.01 117.46 119.17 1j3z n PHE 45 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1j3z n PHE 45 Cb 0.20 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1j3z n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j3z n GLY 46 N 1.18 0.62 3.63 1.37 0.00 -1.23 -4.73 105.19 106.04 1j3z n GLY 46 Ca 0.18 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1j3z n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j3z s ASP 47 N -4.00 6.48 -0.12 1.61 -1.08 -1.26 -4.84 116.67 113.47 1j3z s ASP 47 Ca 0.00 1.49 0.15 0.00 -0.52 0.00 0.00 52.55 53.67 1j3z s ASP 47 Cb 0.00 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 39.27 1j3z s ASP 47 CO 0.00 -1.19 1.17 0.18 0.52 0.00 0.00 175.17 175.84 1j3z n LEU 48 N 8.15 1.91 0.21 -1.34 4.77 -1.26 -4.32 117.00 125.11 1j3z n LEU 48 Ca 0.17 -2.94 0.10 0.00 -0.03 0.00 0.00 56.01 53.31 1j3z n LEU 48 Cb 0.46 -0.32 0.26 0.00 -2.33 0.00 0.00 43.42 41.48 1j3z n LEU 48 CO 0.64 0.90 0.74 0.77 -1.33 0.00 0.00 177.39 179.11 1j3z h SER 49 N 0.65 0.00 -5.34 -1.43 4.64 -1.89 -3.44 113.55 106.74 1j3z h SER 49 Ca -0.05 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.12 1j3z h SER 49 Cb 1.25 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.20 1j3z h SER 49 CO 0.02 0.19 -0.60 0.42 -0.87 0.00 0.00 176.83 176.00 1j3z s THR 50 N -3.29 0.13 0.23 2.95 -4.23 -1.26 -5.02 115.64 105.15 1j3z s THR 50 Ca 0.04 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 58.72 1j3z s THR 50 Cb 0.07 -1.85 0.20 0.00 1.34 0.00 0.00 72.50 72.26 1j3z s THR 50 CO 0.67 -0.58 1.74 -0.65 -0.54 0.00 0.00 174.62 175.25 1j3z h PRO 51 N 2.88 0.44 -0.47 3.99 0.11 -1.97 -1.13 132.00 135.85 1j3z h PRO 51 Ca -0.34 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 1j3z h PRO 51 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1j3z h PRO 51 CO 0.59 0.29 -0.14 -0.44 -0.21 0.00 0.00 178.00 178.09 1j3z h ASP 52 N 0.45 0.90 -0.45 -2.05 3.32 -1.98 -0.39 116.42 116.22 1j3z h ASP 52 Ca 0.38 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1j3z h ASP 52 Cb 0.54 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1j3z h ASP 52 CO -0.37 1.04 0.26 0.00 -1.72 0.00 0.00 179.24 178.45 1j3z h ALA 53 N 1.04 1.58 0.01 3.45 0.00 -1.70 -2.27 119.26 121.37 1j3z h ALA 53 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1j3z h ALA 53 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j3z h ALA 53 CO 0.05 0.36 -0.13 0.28 0.00 0.00 0.00 179.25 179.80 1j3z h VAL 54 N 0.64 1.64 -0.78 0.00 2.07 -0.71 -3.07 116.25 116.05 1j3z h VAL 54 Ca 0.17 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 1j3z h VAL 54 Cb 0.01 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1j3z h VAL 54 CO -0.03 0.55 0.34 0.24 0.02 0.00 0.00 177.57 178.69 1j3z h MET 55 N -0.73 1.14 -0.01 1.57 2.07 -0.96 -2.23 114.93 115.78 1j3z h MET 55 Ca -0.02 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.42 1j3z h MET 55 Cb 0.97 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 30.51 1j3z h MET 55 CO 0.03 0.91 -0.04 0.41 1.07 0.00 0.00 176.91 179.28 1j3z n GLY 56 N -0.93 -0.29 3.67 8.32 0.00 -0.87 -4.77 105.19 110.32 1j3z n GLY 56 Ca 0.07 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1j3z n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3z s ASN 57 N -2.10 6.54 0.49 1.61 3.84 -0.84 -4.84 114.94 119.65 1j3z s ASN 57 Ca 0.37 2.51 0.19 0.00 0.21 0.00 0.00 52.86 56.15 1j3z s ASN 57 Cb 0.21 -2.54 1.25 0.00 -0.55 0.00 0.00 41.25 39.62 1j3z s ASN 57 CO 0.37 -0.98 2.07 1.55 -2.79 0.00 0.00 177.10 177.33 1j3z h PRO 58 N 9.60 0.00 0.01 0.43 0.13 -1.90 -0.82 132.00 139.45 1j3z h PRO 58 Ca -0.45 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 1j3z h PRO 58 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j3z h PRO 58 CO 0.94 0.11 -0.97 0.87 -0.23 0.00 0.00 178.00 178.72 1j3z h LYS 59 N 0.00 0.40 -0.31 0.86 1.57 -1.88 -0.62 116.57 116.60 1j3z h LYS 59 Ca -0.00 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1j3z h LYS 59 Cb 0.22 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1j3z h LYS 59 CO 0.01 1.12 0.15 0.28 -0.57 0.00 0.00 179.45 180.44 1j3z h VAL 60 N 0.22 1.15 -0.40 0.50 2.07 -1.75 -0.44 116.25 117.60 1j3z h VAL 60 Ca -0.09 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1j3z h VAL 60 Cb 1.61 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1j3z h VAL 60 CO 0.17 0.16 0.25 0.11 0.02 0.00 0.00 177.57 178.27 1j3z h LYS 61 N 0.36 0.49 -0.58 1.57 1.57 -1.10 0.38 116.57 119.26 1j3z h LYS 61 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1j3z h LYS 61 Cb 0.12 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1j3z h LYS 61 CO -0.01 0.32 0.29 0.00 -0.57 0.00 0.00 179.45 179.48 1j3z h ALA 62 N 1.16 0.75 -0.50 3.86 0.00 -0.99 -1.44 119.26 122.11 1j3z h ALA 62 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1j3z h ALA 62 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j3z h ALA 62 CO -0.06 0.30 -0.15 1.25 0.00 0.00 0.00 179.25 180.60 1j3z h HIS 63 N 0.79 1.10 -0.93 0.00 -0.00 -0.79 -2.36 115.15 112.96 1j3z h HIS 63 Ca 0.20 -0.25 0.03 0.00 -0.00 0.00 0.00 60.37 60.35 1j3z h HIS 63 Cb 0.11 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.20 1j3z h HIS 63 CO -0.00 1.05 0.61 0.78 -0.00 0.00 0.00 177.93 180.37 1j3z h GLY 64 N 0.83 1.33 1.02 5.26 0.00 -0.67 0.69 103.07 111.53 1j3z h GLY 64 Ca 0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1j3z h GLY 64 CO 0.05 0.41 0.37 1.70 0.00 0.00 0.00 176.54 179.07 1j3z h LYS 65 N 1.18 1.10 -0.13 4.80 3.64 -1.00 -0.46 116.57 125.71 1j3z h LYS 65 Ca 0.36 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1j3z h LYS 65 Cb -0.02 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1j3z h LYS 65 CO -0.10 0.85 0.01 -0.22 -2.27 0.00 0.00 179.45 177.72 1j3z h LYS 66 N 1.07 0.21 0.17 1.90 3.64 -0.81 -0.93 116.57 121.84 1j3z h LYS 66 Ca 0.26 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1j3z h LYS 66 Cb 0.12 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1j3z h LYS 66 CO -0.03 0.42 -0.08 0.28 -2.27 0.00 0.00 179.45 177.77 1j3z h VAL 67 N -0.03 0.89 0.00 2.00 2.07 -0.82 -2.33 116.25 118.04 1j3z h VAL 67 Ca 0.04 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1j3z h VAL 67 Cb 0.32 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1j3z h VAL 67 CO 0.00 0.07 -0.38 0.25 0.02 0.00 0.00 177.57 177.53 1j3z h LEU 68 N -0.38 0.00 -0.60 2.57 5.85 -1.13 -1.49 115.31 120.14 1j3z h LEU 68 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1j3z h LEU 68 Cb 0.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1j3z h LEU 68 CO 0.04 0.38 0.39 1.23 -0.34 0.00 0.00 178.44 180.14 1j3z h GLY 69 N 2.41 0.85 1.20 3.75 0.00 -1.09 0.33 103.07 110.52 1j3z h GLY 69 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1j3z h GLY 69 CO 0.05 0.32 -0.29 0.00 0.00 0.00 0.00 176.54 176.62 1j3z h ALA 70 N 1.21 0.70 0.09 3.60 0.00 -0.95 -1.06 119.26 122.85 1j3z h ALA 70 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1j3z h ALA 70 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1j3z h ALA 70 CO -0.05 0.67 -0.09 0.35 0.00 0.00 0.00 179.25 180.13 1j3z h PHE 71 N 0.76 -0.23 -0.50 0.00 3.04 -1.04 -2.01 116.94 116.96 1j3z h PHE 71 Ca 0.09 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.11 1j3z h PHE 71 Cb 0.85 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 1j3z h PHE 71 CO 0.05 -0.14 0.17 1.03 -2.02 0.00 0.00 178.31 177.40 1j3z h SER 72 N -0.20 0.15 -0.95 0.41 0.87 -0.21 -1.72 113.55 111.91 1j3z h SER 72 Ca 0.01 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1j3z h SER 72 Cb 0.19 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 1j3z h SER 72 CO -0.03 0.11 0.63 0.44 -0.53 0.00 0.00 176.83 177.46 1j3z h ASP 73 N 0.34 1.08 0.40 6.23 3.32 -1.04 -2.42 116.42 124.33 1j3z h ASP 73 Ca 0.24 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1j3z h ASP 73 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1j3z h ASP 73 CO -0.26 0.78 -0.34 1.23 -1.72 0.00 0.00 179.24 178.92 1j3z h GLY 74 N 1.28 0.00 2.00 2.75 0.00 -0.57 -2.57 103.07 105.95 1j3z h GLY 74 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1j3z h GLY 74 CO -0.09 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.86 1j3z h LEU 75 N 0.00 0.00 -0.03 3.11 3.38 -0.85 -0.30 115.31 120.61 1j3z h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j3z h LEU 75 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1j3z h LEU 75 CO 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.53 1j3z n ALA 76 N -1.98 2.53 -3.17 1.53 0.00 -0.97 -4.39 120.51 114.07 1j3z n ALA 76 Ca -0.02 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 1j3z n ALA 76 Cb 0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 1j3z n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3z n HIS 77 N -1.31 1.17 0.63 0.00 8.25 -0.12 -4.96 115.22 118.88 1j3z n HIS 77 Ca 0.12 -3.83 0.13 0.00 -0.26 0.00 0.00 57.72 53.88 1j3z n HIS 77 Cb 0.28 -0.43 0.45 0.00 1.12 0.00 0.00 29.99 31.41 1j3z n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1j3z n LEU 78 N 0.52 0.63 -0.02 2.41 4.32 -1.26 -3.93 117.00 119.68 1j3z n LEU 78 Ca 0.26 0.58 -0.03 0.00 -0.02 0.00 0.00 56.01 56.80 1j3z n LEU 78 Cb 0.55 -0.40 0.21 0.00 -1.62 0.00 0.00 43.42 42.15 1j3z n LEU 78 CO 0.25 -0.24 0.80 0.44 -1.22 0.00 0.00 177.39 177.42 1j3z h ASP 79 N 0.00 0.55 -1.74 -1.43 3.32 -1.94 -3.37 116.42 111.81 1j3z h ASP 79 Ca 0.00 -0.16 -0.46 0.00 0.02 0.00 0.00 57.03 56.43 1j3z h ASP 79 Cb 0.61 -0.15 -0.31 0.00 0.22 0.00 0.00 39.33 39.69 1j3z h ASP 79 CO 0.00 0.73 -0.87 -3.20 -1.72 0.00 0.00 179.24 174.18 1j3z n ASN 80 N -4.17 -1.15 0.01 6.45 5.15 -1.25 -4.98 115.26 115.32 1j3z n ASN 80 Ca 0.00 -2.66 0.02 0.00 -0.60 0.00 0.00 54.58 51.34 1j3z n ASN 80 Cb 0.36 0.13 0.37 0.00 -0.53 0.00 0.00 39.78 40.10 1j3z n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j3z h LEU 81 N 4.90 0.46 -0.82 1.20 3.38 -1.74 -1.66 115.31 121.03 1j3z h LEU 81 Ca 0.13 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1j3z h LEU 81 Cb 0.95 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1j3z h LEU 81 CO 0.32 0.44 0.54 0.11 0.09 0.00 0.00 178.44 179.94 1j3z h LYS 82 N 0.51 1.05 -0.41 1.13 1.57 -1.88 0.48 116.57 119.01 1j3z h LYS 82 Ca 0.12 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1j3z h LYS 82 Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1j3z h LYS 82 CO -0.01 0.69 -0.02 0.78 -0.57 0.00 0.00 179.45 180.33 1j3z h GLY 83 N 1.08 0.80 1.19 3.86 0.00 -1.77 -2.55 103.07 105.68 1j3z h GLY 83 Ca 0.31 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1j3z h GLY 83 CO -0.08 0.55 0.11 -0.84 0.00 0.00 0.00 176.54 176.28 1j3z h THR 84 N 0.57 1.25 -0.61 4.70 2.02 -0.78 -2.80 112.91 117.26 1j3z h THR 84 Ca 0.11 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1j3z h THR 84 Cb 0.51 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1j3z h THR 84 CO 0.02 0.36 0.00 0.49 0.37 0.00 0.00 175.52 176.77 1j3z n PHE 85 N -4.23 0.94 -0.11 3.16 3.72 0.11 -4.60 117.46 116.45 1j3z n PHE 85 Ca 0.04 -0.44 -0.06 0.00 -0.05 0.00 0.00 57.45 56.94 1j3z n PHE 85 Cb 0.27 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1j3z n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j3z h ALA 86 N 4.09 0.45 -0.55 4.37 0.00 -1.17 0.18 119.26 126.64 1j3z h ALA 86 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j3z h ALA 86 Cb 0.94 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1j3z h ALA 86 CO 0.05 -0.22 0.34 1.15 0.00 0.00 0.00 179.25 180.57 1j3z h THR 87 N 0.34 1.16 -0.09 0.00 2.02 -1.82 -0.53 112.91 113.99 1j3z h THR 87 Ca 0.17 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 1j3z h THR 87 Cb 0.11 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1j3z h THR 87 CO -0.14 0.17 -0.53 -0.07 0.37 0.00 0.00 175.52 175.32 1j3z h LEU 88 N 0.75 0.28 -0.11 2.58 3.38 -1.77 -1.26 115.31 119.15 1j3z h LEU 88 Ca 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j3z h LEU 88 Cb -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1j3z h LEU 88 CO -0.04 0.75 0.04 -1.28 0.09 0.00 0.00 178.44 178.01 1j3z h SER 89 N 0.20 0.15 -0.92 -0.43 0.87 -0.13 -0.63 113.55 112.66 1j3z h SER 89 Ca 0.00 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1j3z h SER 89 Cb 0.99 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1j3z h SER 89 CO 0.08 0.27 0.59 -0.33 -0.53 0.00 0.00 176.83 176.92 1j3z h GLU 90 N 0.02 1.10 -0.13 2.24 5.08 -0.97 -1.16 114.58 120.76 1j3z h GLU 90 Ca 0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1j3z h GLU 90 Cb 0.17 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1j3z h GLU 90 CO -0.00 0.73 0.06 1.25 -1.00 0.00 0.00 179.01 180.04 1j3z h LEU 91 N 1.13 0.18 -0.93 1.33 5.85 -0.97 0.10 115.31 122.00 1j3z h LEU 91 Ca 0.37 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1j3z h LEU 91 Cb 0.05 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1j3z h LEU 91 CO -0.13 0.29 -0.51 0.45 -0.34 0.00 0.00 178.44 178.19 1j3z h HIS 92 N 0.07 0.00 0.06 1.25 3.86 -0.80 -1.47 115.15 118.11 1j3z h HIS 92 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1j3z h HIS 92 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1j3z h HIS 92 CO -0.02 0.51 -0.03 0.00 0.86 0.00 0.00 177.93 179.25 1j3z h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -0.82 -3.19 116.42 114.73 1j3z h ASP 94 Ca -0.01 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.77 1j3z h ASP 94 Cb 0.31 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1j3z h ASP 94 CO 0.01 0.33 -1.99 0.29 -1.72 0.00 0.00 179.24 176.16 1j3z n LYS 95 N -2.94 0.42 0.01 3.56 4.76 -0.63 -4.77 118.16 118.57 1j3z n LYS 95 Ca -0.02 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 1j3z n LYS 95 Cb 0.70 -1.30 -0.12 0.00 -1.84 0.00 0.00 35.03 32.46 1j3z n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3z n LEU 96 N -3.18 0.27 -3.74 -0.35 4.77 -0.78 -5.00 117.00 108.99 1j3z n LEU 96 Ca -0.32 0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.46 1j3z n LEU 96 Cb 0.81 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.91 1j3z n LEU 96 CO 0.14 -0.01 -0.09 1.41 -1.33 0.00 0.00 177.39 177.51 1j3z n HIS 97 N -2.25 -1.88 -3.48 -1.77 8.25 -0.08 -4.96 115.22 109.06 1j3z n HIS 97 Ca -0.02 0.83 -0.40 0.00 -0.26 0.00 0.00 57.72 57.87 1j3z n HIS 97 Cb 0.54 -4.30 -0.10 0.00 1.12 0.00 0.00 29.99 27.25 1j3z n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j3z s VAL 98 N -3.70 5.23 0.10 1.59 1.01 -0.55 -5.04 120.40 119.04 1j3z s VAL 98 Ca 0.01 0.11 -0.32 0.00 0.00 0.00 0.00 61.98 61.77 1j3z s VAL 98 Cb -0.01 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 1j3z s VAL 98 CO 0.82 0.05 1.78 -0.67 0.00 0.00 0.00 175.10 177.08 1j3z n ASP 99 N 5.23 3.70 0.20 3.32 -0.08 -1.26 -4.75 116.55 122.91 1j3z n ASP 99 Ca -0.11 1.01 0.12 0.00 -1.51 0.00 0.00 54.79 54.30 1j3z n ASP 99 Cb 0.50 -1.49 0.66 0.00 2.34 0.00 0.00 41.12 43.13 1j3z n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j3z h PRO 100 N 7.93 0.00 -0.41 -0.67 0.11 -1.96 -1.38 132.00 135.62 1j3z h PRO 100 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.76 1j3z h PRO 100 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1j3z h PRO 100 CO 0.93 0.00 0.30 1.49 -0.21 0.00 0.00 178.00 180.51 1j3z h GLU 101 N 0.00 0.02 -0.53 1.05 4.57 -1.98 -0.72 114.58 116.99 1j3z h GLU 101 Ca 0.00 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1j3z h GLU 101 Cb 0.12 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1j3z h GLU 101 CO 0.00 0.02 0.35 -0.91 -1.18 0.00 0.00 179.01 177.29 1j3z h ASN 102 N 0.02 0.60 -0.15 1.04 4.21 -1.61 -1.10 115.58 118.60 1j3z h ASN 102 Ca 0.20 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.60 1j3z h ASN 102 Cb 0.76 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 1j3z h ASN 102 CO -0.01 0.43 -0.18 -0.26 -1.29 0.00 0.00 177.43 176.13 1j3z h PHE 103 N 0.71 0.62 -0.24 1.19 0.04 -1.31 -0.87 116.94 117.07 1j3z h PHE 103 Ca 0.20 -0.12 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1j3z h PHE 103 Cb -0.07 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 1j3z h PHE 103 CO -0.00 0.71 -0.36 0.00 -0.60 0.00 0.00 178.31 178.06 1j3z h ARG 104 N 0.51 0.67 -0.66 1.51 3.08 -1.23 -1.81 114.38 116.44 1j3z h ARG 104 Ca 0.08 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1j3z h ARG 104 Cb 0.60 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1j3z h ARG 104 CO 0.04 1.01 0.34 -0.07 -1.07 0.00 0.00 179.97 180.22 1j3z h LEU 105 N 0.38 0.84 -0.82 3.04 3.38 -1.15 -2.25 115.31 118.74 1j3z h LEU 105 Ca 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1j3z h LEU 105 Cb 0.95 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1j3z h LEU 105 CO 0.08 0.71 0.42 0.25 0.09 0.00 0.00 178.44 180.00 1j3z h LEU 106 N 0.90 1.06 -0.58 1.67 5.85 -1.08 -1.40 115.31 121.73 1j3z h LEU 106 Ca 0.23 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1j3z h LEU 106 Cb 0.08 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1j3z h LEU 106 CO -0.03 0.88 0.36 1.23 -0.34 0.00 0.00 178.44 180.53 1j3z h GLY 107 N 1.16 0.82 1.56 3.75 0.00 -0.93 0.17 103.07 109.59 1j3z h GLY 107 Ca 0.28 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 1j3z h GLY 107 CO -0.04 0.23 -0.40 3.43 0.00 0.00 0.00 176.54 179.77 1j3z h ASN 108 N 0.71 0.52 -0.56 0.19 2.35 -1.03 -1.51 115.58 116.25 1j3z h ASN 108 Ca 0.23 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1j3z h ASN 108 Cb 0.01 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1j3z h ASN 108 CO -0.09 0.86 -0.09 0.58 -1.65 0.00 0.00 177.43 177.04 1j3z h VAL 109 N 0.41 1.27 -0.67 2.81 2.07 -0.86 -2.07 116.25 119.19 1j3z h VAL 109 Ca 0.04 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.32 1j3z h VAL 109 Cb 0.87 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1j3z h VAL 109 CO 0.07 0.45 0.43 0.25 0.02 0.00 0.00 177.57 178.79 1j3z h LEU 110 N 0.93 0.73 -0.76 2.57 5.85 -0.38 0.09 115.31 124.35 1j3z h LEU 110 Ca 0.15 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1j3z h LEU 110 Cb 0.66 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1j3z h LEU 110 CO 0.05 0.52 0.46 0.58 -0.34 0.00 0.00 178.44 179.70 1j3z h VAL 111 N 0.87 1.03 -0.82 1.05 2.07 -1.08 0.77 116.25 120.14 1j3z h VAL 111 Ca 0.26 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1j3z h VAL 111 Cb -0.04 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1j3z h VAL 111 CO -0.08 0.16 0.38 0.00 0.02 0.00 0.00 177.57 178.04 1j3z h VAL 113 N 1.17 1.27 -0.50 0.00 2.07 -0.26 -0.54 116.25 119.47 1j3z h VAL 113 Ca 0.28 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1j3z h VAL 113 Cb 0.14 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1j3z h VAL 113 CO -0.03 0.49 0.15 -0.07 0.02 0.00 0.00 177.57 178.13 1j3z h LEU 114 N 0.74 0.73 -0.55 2.57 3.38 -0.69 -0.50 115.31 121.00 1j3z h LEU 114 Ca 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1j3z h LEU 114 Cb 0.87 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1j3z h LEU 114 CO 0.08 0.74 0.35 0.00 0.09 0.00 0.00 178.44 179.70 1j3z h ALA 115 N 1.01 0.69 -0.87 1.53 0.00 -1.11 0.48 119.26 120.99 1j3z h ALA 115 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j3z h ALA 115 Cb 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j3z h ALA 115 CO -0.00 0.16 0.51 1.25 0.00 0.00 0.00 179.25 181.16 1j3z h HIS 116 N 0.74 1.17 0.01 0.00 -0.00 -0.81 -0.25 115.15 116.01 1j3z h HIS 116 Ca 0.20 -0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.38 1j3z h HIS 116 Cb -0.05 -0.38 0.02 0.00 -0.00 0.00 0.00 27.41 26.99 1j3z h HIS 116 CO -0.03 0.79 -0.71 1.25 -0.00 0.00 0.00 177.93 179.23 1j3z h HIS 117 N 1.21 0.68 0.00 5.26 6.17 -0.79 -3.37 115.15 124.32 1j3z h HIS 117 Ca 0.31 -0.38 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1j3z h HIS 117 Cb -0.02 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 29.84 1j3z h HIS 117 CO 0.00 1.21 -0.98 1.19 0.71 0.00 0.00 177.93 180.07 1j3z n PHE 118 N -4.14 0.39 -0.54 5.26 3.72 0.13 -5.03 117.46 117.26 1j3z n PHE 118 Ca -0.11 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1j3z n PHE 118 Cb 0.73 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1j3z n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j3z n GLY 119 N 1.34 3.53 0.29 1.37 0.00 -0.11 -2.20 105.19 109.41 1j3z n GLY 119 Ca 0.02 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.06 1j3z n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j3z h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -1.36 116.57 114.86 1j3z h LYS 120 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1j3z h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1j3z h LYS 120 CO 0.00 0.03 -0.06 1.49 -0.00 0.00 0.00 179.45 180.91 1j3z h GLU 121 N 0.00 0.00 -3.70 0.07 4.81 -1.84 -3.26 114.58 110.66 1j3z h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1j3z h GLU 121 Cb 0.09 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.38 1j3z h GLU 121 CO 0.00 0.06 2.65 0.34 -0.73 0.00 0.00 179.01 181.34 1j3z n PHE 122 N -3.50 3.20 -1.24 0.92 7.35 -0.51 -4.92 117.46 118.76 1j3z n PHE 122 Ca -0.02 -2.89 -0.30 0.00 -0.76 0.00 0.00 57.45 53.48 1j3z n PHE 122 Cb 0.18 -2.27 0.12 0.00 0.35 0.00 0.00 39.48 37.87 1j3z n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j3z s THR 123 N 1.79 2.83 0.24 -2.13 -4.23 -1.23 -4.66 115.64 108.25 1j3z s THR 123 Ca 0.45 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1j3z s THR 123 Cb 0.12 -2.77 0.23 0.00 1.34 0.00 0.00 72.50 71.42 1j3z s THR 123 CO -0.05 -0.35 1.69 -0.65 -0.54 0.00 0.00 174.62 174.72 1j3z h PRO 124 N -1.43 0.27 -0.60 3.99 0.11 -1.93 -0.11 132.00 132.30 1j3z h PRO 124 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1j3z h PRO 124 Cb 1.27 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1j3z h PRO 124 CO 0.54 0.18 0.19 -1.35 -0.21 0.00 0.00 178.00 177.34 1j3z h PRO 125 N 0.27 0.90 -0.33 1.05 0.11 -1.99 -0.91 132.00 131.11 1j3z h PRO 125 Ca 0.41 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1j3z h PRO 125 Cb 0.69 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1j3z h PRO 125 CO -0.50 0.78 0.12 0.28 -0.21 0.00 0.00 178.00 178.47 1j3z h VAL 126 N 0.88 1.19 -0.45 3.15 2.07 -1.73 -1.96 116.25 119.40 1j3z h VAL 126 Ca 0.20 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1j3z h VAL 126 Cb 0.25 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1j3z h VAL 126 CO -0.01 0.21 0.15 -0.61 0.02 0.00 0.00 177.57 177.33 1j3z h GLN 127 N 0.38 0.31 -0.90 1.57 4.15 -0.84 -1.18 115.11 118.60 1j3z h GLN 127 Ca 0.11 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.57 1j3z h GLN 127 Cb 0.20 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.76 1j3z h GLN 127 CO -0.01 0.21 0.57 0.00 -1.93 0.00 0.00 178.83 177.67 1j3z h ALA 128 N 1.30 1.23 -0.39 3.38 0.00 -0.92 0.31 119.26 124.18 1j3z h ALA 128 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1j3z h ALA 128 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1j3z h ALA 128 CO -0.22 0.33 0.14 0.00 0.00 0.00 0.00 179.25 179.50 1j3z h ALA 129 N 1.41 0.50 -0.36 0.00 0.00 -0.93 -2.31 119.26 117.58 1j3z h ALA 129 Ca 0.39 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1j3z h ALA 129 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1j3z h ALA 129 CO -0.17 0.12 -0.03 1.88 0.00 0.00 0.00 179.25 181.05 1j3z h TYR 130 N 0.48 0.60 -0.82 0.00 0.05 -0.37 -1.31 116.97 115.60 1j3z h TYR 130 Ca 0.13 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1j3z h TYR 130 Cb 0.21 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 1j3z h TYR 130 CO 0.00 0.60 0.51 1.96 -1.05 0.00 0.00 178.16 180.19 1j3z h GLN 131 N 0.54 1.09 -0.39 4.88 1.08 -0.13 -0.06 115.11 122.13 1j3z h GLN 131 Ca 0.11 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1j3z h GLN 131 Cb 0.39 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1j3z h GLN 131 CO 0.02 0.75 0.11 0.87 -0.95 0.00 0.00 178.83 179.63 1j3z h LYS 132 N 1.11 0.61 -0.51 1.46 1.57 -1.06 -2.32 116.57 117.43 1j3z h LYS 132 Ca 0.30 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1j3z h LYS 132 Cb -0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1j3z h LYS 132 CO -0.06 0.62 -0.13 -0.24 -0.57 0.00 0.00 179.45 179.07 1j3z h VAL 133 N 0.48 1.27 -0.14 0.50 3.04 -0.88 0.18 116.25 120.69 1j3z h VAL 133 Ca 0.12 -1.28 -0.11 0.00 -1.01 0.00 0.00 66.70 64.43 1j3z h VAL 133 Cb 0.28 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 1j3z h VAL 133 CO -0.00 0.45 -0.39 -0.37 -1.01 0.00 0.00 177.57 176.24 1j3z h VAL 134 N 0.86 1.30 -0.46 1.51 -1.51 -1.01 -0.28 116.25 116.67 1j3z h VAL 134 Ca 0.13 -1.49 -0.08 0.00 -1.23 0.00 0.00 66.70 64.02 1j3z h VAL 134 Cb 0.69 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 1j3z h VAL 134 CO 0.05 0.45 -0.04 0.00 -1.23 0.00 0.00 177.57 176.80 1j3z h ALA 135 N 1.34 0.62 -0.41 5.19 0.00 -1.23 -0.04 119.26 124.72 1j3z h ALA 135 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j3z h ALA 135 Cb 0.81 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1j3z h ALA 135 CO 0.06 0.46 0.27 0.78 0.00 0.00 0.00 179.25 180.83 1j3z h GLY 136 N 0.68 0.57 0.97 0.00 0.00 -0.67 0.97 103.07 105.59 1j3z h GLY 136 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1j3z h GLY 136 CO 0.03 0.21 0.08 -2.08 0.00 0.00 0.00 176.54 174.79 1j3z h VAL 137 N 0.55 1.24 -0.75 4.60 2.07 -0.98 -1.17 116.25 121.82 1j3z h VAL 137 Ca 0.15 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1j3z h VAL 137 Cb -0.06 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1j3z h VAL 137 CO -0.03 0.31 0.37 0.00 0.02 0.00 0.00 177.57 178.24 1j3z h ALA 138 N 0.96 0.97 -0.44 1.67 0.00 -0.77 0.13 119.26 121.78 1j3z h ALA 138 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1j3z h ALA 138 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1j3z h ALA 138 CO 0.01 0.52 -0.12 -0.91 0.00 0.00 0.00 179.25 178.75 1j3z h ASN 139 N 1.05 0.80 -0.42 0.00 -0.26 -0.68 -0.40 115.58 115.67 1j3z h ASN 139 Ca 0.26 -0.25 -0.06 0.00 -0.56 0.00 0.00 56.30 55.69 1j3z h ASN 139 Cb 0.10 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1j3z h ASN 139 CO -0.03 0.93 0.02 0.00 -1.06 0.00 0.00 177.43 177.29 1j3z h ALA 140 N 1.14 0.56 0.00 -0.83 0.00 -0.85 -1.74 119.26 117.55 1j3z h ALA 140 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1j3z h ALA 140 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1j3z h ALA 140 CO 0.04 0.33 -0.24 -0.07 0.00 0.00 0.00 179.25 179.30 1j3z h LEU 141 N 0.57 0.00 0.00 0.00 3.38 -0.71 -2.49 115.31 116.05 1j3z h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1j3z h LEU 141 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1j3z h LEU 141 CO 0.02 0.24 -0.14 0.00 0.09 0.00 0.00 178.44 178.66 1j3z n ALA 142 N -2.31 2.52 -0.06 1.53 0.00 -0.18 -4.46 120.51 117.56 1j3z n ALA 142 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1j3z n ALA 142 Cb 0.37 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 18.62 1j3z n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j3z h HIS 143 N 0.00 0.71 -0.31 0.00 6.17 -0.84 -2.47 115.15 118.42 1j3z h HIS 143 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1j3z h HIS 143 Cb 0.62 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1j3z h HIS 143 CO 0.00 0.72 0.00 1.63 0.71 0.00 0.00 177.93 180.99 1j3z n LYS 144 N -4.20 2.07 -1.68 5.26 4.76 -1.26 -4.48 118.16 118.62 1j3z n LYS 144 Ca 0.01 -1.26 -0.40 0.00 -2.87 0.00 0.00 58.31 53.79 1j3z n LYS 144 Cb 0.32 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 1j3z n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1j3z n TYR 145 N 0.41 2.82 -0.94 2.13 4.02 -0.93 -4.82 117.16 119.85 1j3z n TYR 145 Ca 0.11 -2.97 0.00 0.00 -0.01 0.00 0.00 57.90 55.03 1j3z n TYR 145 Cb 0.40 -2.32 0.00 0.00 -0.02 0.00 0.00 39.34 37.40 1j3z n TYR 145 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46