#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 3.64 0.17 3.52 3.76 -1.26 -4.96 115.29 120.16 1j3z s HIS 2 Ca 0.00 -2.59 -0.23 0.00 -0.15 0.00 0.00 55.06 52.09 1j3z s HIS 2 Cb 0.00 -3.11 -0.08 0.00 1.11 0.00 0.00 32.58 30.50 1j3z s HIS 2 CO 0.00 -0.96 0.74 -0.51 -0.85 0.00 0.00 174.74 173.16 1j3z s LEU 3 N 1.07 4.52 0.77 0.89 1.02 -1.26 -5.08 118.68 120.62 1j3z s LEU 3 Ca 0.09 1.55 -0.11 0.00 0.02 0.00 0.00 54.13 55.68 1j3z s LEU 3 Cb -0.22 -3.33 0.06 0.00 0.02 0.00 0.00 46.19 42.72 1j3z s LEU 3 CO -0.05 0.17 1.08 0.42 0.02 0.00 0.00 176.35 177.99 1j3z s THR 4 N -1.24 3.34 0.26 5.49 -4.23 -1.26 -4.82 115.64 113.17 1j3z s THR 4 Ca 0.37 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1j3z s THR 4 Cb -0.21 -3.13 0.24 0.00 1.34 0.00 0.00 72.50 70.74 1j3z s THR 4 CO 0.24 -0.57 1.82 -0.65 -0.54 0.00 0.00 174.62 174.92 1j3z h PRO 5 N -1.03 0.86 -0.76 3.99 0.11 -1.99 0.19 132.00 133.37 1j3z h PRO 5 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1j3z h PRO 5 Cb 1.25 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1j3z h PRO 5 CO 0.57 0.57 0.30 0.93 -0.21 0.00 0.00 178.00 180.16 1j3z h GLU 6 N 0.88 1.13 -0.50 1.05 3.07 -1.99 -1.45 114.58 116.77 1j3z h GLU 6 Ca 0.44 -0.20 -0.13 0.00 -0.50 0.00 0.00 59.36 58.97 1j3z h GLU 6 Cb 0.40 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1j3z h GLU 6 CO -0.25 0.92 -0.18 0.93 -1.40 0.00 0.00 179.01 179.02 1j3z h GLU 7 N 1.10 1.01 -0.64 2.33 5.08 -1.73 -1.22 114.58 120.52 1j3z h GLU 7 Ca 0.25 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1j3z h GLU 7 Cb 0.21 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1j3z h GLU 7 CO -0.02 1.10 0.27 0.87 -1.00 0.00 0.00 179.01 180.23 1j3z h LYS 8 N 0.87 0.94 -0.33 2.33 1.57 -0.67 0.48 116.57 121.76 1j3z h LYS 8 Ca 0.12 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1j3z h LYS 8 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1j3z h LYS 8 CO 0.06 0.78 -0.27 0.66 -0.57 0.00 0.00 179.45 180.12 1j3z h SER 9 N 0.89 0.70 -0.45 0.86 4.64 -1.16 -1.78 113.55 117.25 1j3z h SER 9 Ca 0.21 -0.26 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1j3z h SER 9 Cb 0.18 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1j3z h SER 9 CO -0.02 0.94 -0.28 0.00 -0.87 0.00 0.00 176.83 176.60 1j3z h ALA 10 N 1.11 0.64 0.02 5.18 0.00 -0.84 -0.66 119.26 124.72 1j3z h ALA 10 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1j3z h ALA 10 Cb 0.76 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1j3z h ALA 10 CO 0.06 0.67 -0.08 0.28 0.00 0.00 0.00 179.25 180.19 1j3z h VAL 11 N 0.83 0.81 -0.48 0.00 2.07 -0.77 -1.92 116.25 116.78 1j3z h VAL 11 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1j3z h VAL 11 Cb 0.86 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1j3z h VAL 11 CO 0.08 0.00 0.25 0.74 0.02 0.00 0.00 177.57 178.66 1j3z h THR 12 N -0.15 1.18 -0.41 2.57 2.02 -1.25 -1.50 112.91 115.37 1j3z h THR 12 Ca 0.02 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1j3z h THR 12 Cb 0.17 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1j3z h THR 12 CO -0.06 0.19 0.25 0.00 0.37 0.00 0.00 175.52 176.27 1j3z h ALA 13 N 1.09 0.53 -0.50 6.16 0.00 -1.06 -1.51 119.26 123.97 1j3z h ALA 13 Ca 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1j3z h ALA 13 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1j3z h ALA 13 CO -0.02 0.02 0.06 1.25 0.00 0.00 0.00 179.25 180.55 1j3z h LEU 14 N 0.55 0.81 -1.26 0.00 5.85 -1.24 -3.05 115.31 116.97 1j3z h LEU 14 Ca 0.15 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1j3z h LEU 14 Cb -0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1j3z h LEU 14 CO -0.03 0.88 -0.37 -0.25 -0.34 0.00 0.00 178.44 178.33 1j3z h TRP 15 N 0.71 0.00 -0.00 1.25 2.91 -1.03 -0.96 115.95 118.83 1j3z h TRP 15 Ca 0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1j3z h TRP 15 Cb 0.43 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.08 1j3z h TRP 15 CO 0.03 0.37 0.02 0.78 -1.03 0.00 0.00 178.44 178.61 1j3z h GLY 16 N 1.16 0.00 -1.18 2.65 0.00 -1.16 -0.96 103.07 103.57 1j3z h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j3z h GLY 16 CO 0.05 0.00 -0.27 0.28 0.00 0.00 0.00 176.54 176.60 1j3z n LYS 17 N -3.17 1.59 -2.93 4.80 5.02 -0.37 -4.95 118.16 118.15 1j3z n LYS 17 Ca -0.03 -1.28 -0.41 0.00 -2.02 0.00 0.00 58.31 54.58 1j3z n LYS 17 Cb 0.09 -1.47 -0.04 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 -2.29 4.95 -0.73 -0.18 1.01 -0.37 -5.01 120.40 117.78 1j3z s VAL 18 Ca 0.23 1.60 -0.27 0.00 0.00 0.00 0.00 61.98 63.54 1j3z s VAL 18 Cb 0.19 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1j3z s VAL 18 CO 0.46 0.13 1.28 0.21 0.00 0.00 0.00 175.10 177.18 1j3z s ASN 19 N 1.01 6.17 0.18 3.32 3.84 -1.26 -4.91 114.94 123.29 1j3z s ASN 19 Ca 0.39 -0.40 -0.11 0.00 0.21 0.00 0.00 52.86 52.95 1j3z s ASN 19 Cb -0.18 -2.56 0.10 0.00 -0.55 0.00 0.00 41.25 38.06 1j3z s ASN 19 CO 0.16 -1.82 1.76 0.58 -2.79 0.00 0.00 177.10 174.99 1j3z h VAL 20 N 6.05 1.23 -0.18 -5.21 2.07 -1.95 -0.22 116.25 118.04 1j3z h VAL 20 Ca -0.28 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1j3z h VAL 20 Cb 1.05 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1j3z h VAL 20 CO 1.27 0.27 0.04 0.44 0.02 0.00 0.00 177.57 179.61 1j3z h ASP 21 N 0.89 0.01 0.07 0.57 3.32 -1.91 0.13 116.42 119.51 1j3z h ASP 21 Ca 0.22 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1j3z h ASP 21 Cb 0.15 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1j3z h ASP 21 CO -0.02 0.03 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.42 1j3z h GLU 22 N 0.11 -0.09 -0.64 3.56 4.81 -1.89 -2.27 114.58 118.17 1j3z h GLU 22 Ca 0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1j3z h GLU 22 Cb 0.07 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1j3z h GLU 22 CO -0.11 0.12 0.23 0.28 -0.73 0.00 0.00 179.01 178.80 1j3z h VAL 23 N -0.28 1.23 -0.30 0.32 2.07 -1.01 -1.26 116.25 117.01 1j3z h VAL 23 Ca -0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1j3z h VAL 23 Cb 0.25 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1j3z h VAL 23 CO 0.02 0.30 0.16 1.23 0.02 0.00 0.00 177.57 179.29 1j3z h GLY 24 N 1.03 0.45 1.02 2.17 0.00 -0.68 0.88 103.07 107.94 1j3z h GLY 24 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1j3z h GLY 24 CO -0.01 0.20 0.45 -1.33 0.00 0.00 0.00 176.54 175.85 1j3z h GLY 25 N 0.36 1.21 0.89 4.60 0.00 -1.12 -1.48 103.07 107.53 1j3z h GLY 25 Ca 0.10 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1j3z h GLY 25 CO -0.02 0.52 -0.00 -2.09 0.00 0.00 0.00 176.54 174.95 1j3z h GLU 26 N 1.13 0.55 -0.22 4.80 4.57 -0.97 -1.86 114.58 122.59 1j3z h GLU 26 Ca 0.29 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1j3z h GLU 26 Cb 0.02 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1j3z h GLU 26 CO -0.05 0.69 -0.02 0.00 -1.18 0.00 0.00 179.01 178.46 1j3z h ALA 27 N 0.84 0.30 -0.58 2.92 0.00 -0.69 -0.26 119.26 121.78 1j3z h ALA 27 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1j3z h ALA 27 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1j3z h ALA 27 CO 0.02 0.04 0.24 1.25 0.00 0.00 0.00 179.25 180.80 1j3z h LEU 28 N 0.15 0.80 -0.30 0.00 5.85 -1.30 -0.69 115.31 119.81 1j3z h LEU 28 Ca 0.06 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1j3z h LEU 28 Cb 0.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1j3z h LEU 28 CO 0.01 0.74 0.15 1.23 -0.34 0.00 0.00 178.44 180.24 1j3z h GLY 29 N 0.80 0.40 1.43 3.75 0.00 -1.30 -2.24 103.07 105.91 1j3z h GLY 29 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1j3z h GLY 29 CO -0.02 0.09 0.13 3.21 0.00 0.00 0.00 176.54 179.95 1j3z h ARG 30 N 0.32 0.72 -0.20 4.80 3.08 -0.78 -1.34 114.38 120.97 1j3z h ARG 30 Ca 0.12 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1j3z h ARG 30 Cb 0.04 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1j3z h ARG 30 CO -0.08 0.65 -0.06 1.25 -1.07 0.00 0.00 179.97 180.65 1j3z h LEU 31 N 0.70 -0.22 -1.53 3.04 5.85 -0.74 0.17 115.31 122.59 1j3z h LEU 31 Ca 0.16 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1j3z h LEU 31 Cb 0.24 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1j3z h LEU 31 CO -0.00 -0.08 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.85 1j3z h LEU 32 N -0.02 0.00 0.03 2.25 3.38 -0.84 -0.83 115.31 119.29 1j3z h LEU 32 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1j3z h LEU 32 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1j3z h LEU 32 CO -0.22 0.10 -0.79 0.58 0.09 0.00 0.00 178.44 178.20 1j3z h VAL 33 N 0.00 1.30 -0.32 1.22 2.07 -0.65 -3.30 116.25 116.57 1j3z h VAL 33 Ca -0.00 -2.30 -0.16 0.00 0.82 0.00 0.00 66.70 65.06 1j3z h VAL 33 Cb 0.53 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1j3z h VAL 33 CO 0.01 0.51 -0.45 0.58 0.02 0.00 0.00 177.57 178.25 1j3z h VAL 34 N -0.85 1.28 -2.69 2.57 2.07 -0.65 -3.35 116.25 114.62 1j3z h VAL 34 Ca -0.20 -1.63 -0.61 0.00 0.82 0.00 0.00 66.70 65.08 1j3z h VAL 34 Cb 1.28 1.51 -0.41 0.00 -1.52 0.00 0.00 31.29 32.15 1j3z h VAL 34 CO -0.07 0.53 -0.66 -1.22 0.02 0.00 0.00 177.57 176.18 1j3z n TYR 35 N -4.03 2.64 0.28 1.57 4.01 -0.32 -4.99 117.16 116.32 1j3z n TYR 35 Ca -0.03 -4.11 0.13 0.00 -0.16 0.00 0.00 57.90 53.74 1j3z n TYR 35 Cb 0.57 -0.48 0.62 0.00 -0.31 0.00 0.00 39.34 39.73 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 5.01 0.00 0.00 -0.72 0.13 -1.71 -0.93 132.00 133.78 1j3z h PRO 36 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1j3z h PRO 36 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1j3z h PRO 36 CO 0.69 0.00 -0.02 0.11 -0.23 0.00 0.00 178.00 178.55 1j3z h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.82 115.95 113.86 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 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.42 1j3z h TRP 37 CO 0.00 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1j3z n THR 38 N -3.28 0.90 0.24 0.12 -2.24 -0.35 -1.78 114.28 107.88 1j3z n THR 38 Ca -0.02 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1j3z n THR 38 Cb 0.14 -1.17 0.48 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.07 0.14 0.26 -0.78 6.02 -0.68 -3.31 117.38 116.95 1j3z n GLN 39 Ca 0.02 0.53 0.18 0.00 -0.01 0.00 0.00 57.00 57.72 1j3z n GLN 39 Cb 0.20 -1.86 0.91 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.01 -1.09 0.11 -1.57 -0.82 114.38 111.01 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 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1j3z h ARG 40 CO 0.00 0.00 -0.19 1.19 0.10 0.00 0.00 179.97 181.07 1j3z n PHE 41 N -3.46 0.00 -2.11 4.08 3.72 -1.21 -4.40 117.46 114.08 1j3z n PHE 41 Ca -0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1j3z n PHE 41 Cb 0.29 -0.10 0.08 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.51 1.24 -0.20 1.38 3.72 -0.31 -4.80 117.46 117.98 1j3z n PHE 42 Ca 0.14 -1.73 0.10 0.00 -0.05 0.00 0.00 57.45 55.91 1j3z n PHE 42 Cb 0.34 -0.26 0.40 0.00 -0.94 0.00 0.00 39.48 39.02 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 1.72 0.63 0.00 -1.08 5.08 -1.77 -1.49 114.58 117.68 1j3z h GLU 43 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1j3z h GLU 43 Cb 1.38 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1j3z h GLU 43 CO 0.33 0.42 0.00 -1.13 -1.00 0.00 0.00 179.01 177.63 1j3z n SER 44 N -4.50 0.00 -0.17 1.42 3.41 -1.26 -3.42 113.62 109.10 1j3z n SER 44 Ca 0.13 -0.37 0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1j3z n SER 44 Cb 0.36 -0.18 0.56 0.00 -0.26 0.00 0.00 64.21 64.70 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 -1.18 0.00 -2.09 7.33 3.01 -0.56 -5.03 117.46 118.94 1j3z n PHE 45 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1j3z n PHE 45 Cb 0.16 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 1.27 0.63 3.63 1.37 0.00 -1.22 -4.72 105.19 106.15 1j3z n GLY 46 Ca 0.15 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 6.25 -0.12 1.61 -1.08 -1.26 -4.85 116.67 113.22 1j3z s ASP 47 Ca 0.00 1.75 0.15 0.00 -0.52 0.00 0.00 52.55 53.94 1j3z s ASP 47 Cb 0.00 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.30 1j3z s ASP 47 CO 0.00 -1.34 1.18 0.18 0.52 0.00 0.00 175.17 175.70 1j3z n LEU 48 N 8.83 1.93 0.12 -1.34 4.77 -1.26 -4.22 117.00 125.84 1j3z n LEU 48 Ca 0.20 -2.98 0.12 0.00 -0.03 0.00 0.00 56.01 53.32 1j3z n LEU 48 Cb 0.45 -0.32 0.22 0.00 -2.33 0.00 0.00 43.42 41.44 1j3z n LEU 48 CO 0.65 0.94 0.59 0.77 -1.33 0.00 0.00 177.39 179.02 1j3z h SER 49 N 0.76 0.00 -5.33 -1.43 4.64 -1.89 -3.43 113.55 106.87 1j3z h SER 49 Ca -0.07 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 1j3z h SER 49 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1j3z h SER 49 CO 0.03 0.03 -0.61 0.42 -0.87 0.00 0.00 176.83 175.82 1j3z s THR 50 N -3.19 0.14 0.25 2.95 -4.23 -1.26 -5.01 115.64 105.29 1j3z s THR 50 Ca 0.07 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1j3z s THR 50 Cb 0.10 -1.80 0.22 0.00 1.34 0.00 0.00 72.50 72.37 1j3z s THR 50 CO 0.68 -0.65 1.73 -0.65 -0.54 0.00 0.00 174.62 175.19 1j3z h PRO 51 N 2.93 0.45 -0.29 3.99 0.11 -1.97 -1.48 132.00 135.74 1j3z h PRO 51 Ca -0.34 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 1j3z h PRO 51 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1j3z h PRO 51 CO 0.60 0.30 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.94 1j3z h ASP 52 N 0.47 0.64 -0.54 -2.05 3.32 -1.98 -0.79 116.42 115.48 1j3z h ASP 52 Ca 0.42 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1j3z h ASP 52 Cb 0.64 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1j3z h ASP 52 CO -0.40 0.92 0.22 0.00 -1.72 0.00 0.00 179.24 178.26 1j3z h ALA 53 N 1.12 1.28 0.01 3.45 0.00 -1.67 -1.98 119.26 121.48 1j3z h ALA 53 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j3z h ALA 53 Cb 0.81 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1j3z h ALA 53 CO 0.07 0.53 -0.01 0.28 0.00 0.00 0.00 179.25 180.12 1j3z h VAL 54 N 0.84 1.50 -0.63 0.00 2.07 -0.97 -2.83 116.25 116.24 1j3z h VAL 54 Ca 0.20 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.98 1j3z h VAL 54 Cb 0.19 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1j3z h VAL 54 CO -0.02 0.42 0.05 0.24 0.02 0.00 0.00 177.57 178.28 1j3z h MET 55 N -0.74 1.07 -0.01 1.57 2.07 -1.07 -2.38 114.93 115.44 1j3z h MET 55 Ca -0.00 -0.31 0.00 0.00 -2.07 0.00 0.00 59.70 57.32 1j3z h MET 55 Cb 0.70 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.32 1j3z h MET 55 CO 0.00 1.01 -0.01 0.41 1.07 0.00 0.00 176.91 179.39 1j3z n GLY 56 N -0.51 -0.09 3.64 8.32 0.00 -0.75 -4.77 105.19 111.03 1j3z n GLY 56 Ca 0.04 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.03 6.13 0.50 1.61 3.84 -0.90 -4.86 114.94 119.23 1j3z s ASN 57 Ca 0.38 2.33 0.16 0.00 0.21 0.00 0.00 52.86 55.94 1j3z s ASN 57 Cb 0.21 -2.52 1.21 0.00 -0.55 0.00 0.00 41.25 39.59 1j3z s ASN 57 CO 0.35 -1.36 2.09 1.55 -2.79 0.00 0.00 177.10 176.94 1j3z h PRO 58 N 12.01 0.12 -0.03 0.43 0.13 -1.90 -0.62 132.00 142.15 1j3z h PRO 58 Ca -0.45 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1j3z h PRO 58 Cb 1.23 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1j3z h PRO 58 CO 0.95 0.08 -0.82 0.87 -0.23 0.00 0.00 178.00 178.85 1j3z h LYS 59 N 0.13 0.34 -0.20 0.86 1.57 -1.89 -0.51 116.57 116.87 1j3z h LYS 59 Ca 0.10 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1j3z h LYS 59 Cb 0.24 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1j3z h LYS 59 CO -0.01 0.99 0.05 0.28 -0.57 0.00 0.00 179.45 180.19 1j3z h VAL 60 N 0.21 1.20 -0.47 0.50 2.07 -1.67 -0.32 116.25 117.76 1j3z h VAL 60 Ca -0.05 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1j3z h VAL 60 Cb 1.43 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1j3z h VAL 60 CO 0.14 0.20 0.29 0.11 0.02 0.00 0.00 177.57 178.33 1j3z h LYS 61 N 0.14 0.64 -0.80 1.57 1.57 -1.09 0.48 116.57 119.08 1j3z h LYS 61 Ca 0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1j3z h LYS 61 Cb 0.26 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1j3z h LYS 61 CO -0.00 0.47 0.32 0.00 -0.57 0.00 0.00 179.45 179.66 1j3z h ALA 62 N 1.14 1.04 -0.48 3.86 0.00 -0.96 -2.19 119.26 121.67 1j3z h ALA 62 Ca 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1j3z h ALA 62 Cb -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1j3z h ALA 62 CO -0.03 0.67 -0.15 1.25 0.00 0.00 0.00 179.25 180.99 1j3z h HIS 63 N 1.17 1.03 -0.48 0.00 -0.00 -0.65 -2.79 115.15 113.44 1j3z h HIS 63 Ca 0.27 -0.22 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1j3z h HIS 63 Cb 0.22 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1j3z h HIS 63 CO 0.02 1.00 0.25 0.78 -0.00 0.00 0.00 177.93 179.98 1j3z h GLY 64 N 0.94 0.71 1.00 5.26 0.00 -0.53 -1.36 103.07 109.09 1j3z h GLY 64 Ca 0.12 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1j3z h GLY 64 CO 0.05 0.29 0.33 0.50 0.00 0.00 0.00 176.54 177.72 1j3z h LYS 65 N 0.67 0.66 -0.36 4.80 1.57 -1.14 -0.81 116.57 121.95 1j3z h LYS 65 Ca 0.17 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1j3z h LYS 65 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1j3z h LYS 65 CO -0.03 0.43 0.07 -0.22 -0.57 0.00 0.00 179.45 179.14 1j3z h LYS 66 N 0.68 0.59 -0.08 3.15 3.64 -1.19 -0.78 116.57 122.58 1j3z h LYS 66 Ca 0.18 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1j3z h LYS 66 Cb -0.08 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1j3z h LYS 66 CO -0.04 0.65 -0.01 0.28 -2.27 0.00 0.00 179.45 178.06 1j3z h VAL 67 N 0.43 1.27 0.00 2.00 2.07 -1.15 -2.19 116.25 118.68 1j3z h VAL 67 Ca 0.11 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1j3z h VAL 67 Cb 0.34 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1j3z h VAL 67 CO 0.01 0.24 -0.42 0.25 0.02 0.00 0.00 177.57 177.66 1j3z h LEU 68 N -0.16 0.00 -0.72 2.57 6.46 -1.17 -1.80 115.31 120.48 1j3z h LEU 68 Ca 0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1j3z h LEU 68 Cb 0.37 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1j3z h LEU 68 CO 0.01 0.42 0.45 1.23 -0.62 0.00 0.00 178.44 179.92 1j3z h GLY 69 N 2.50 1.03 1.04 3.75 0.00 -1.00 0.18 103.07 110.57 1j3z h GLY 69 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1j3z h GLY 69 CO 0.05 0.40 -0.12 0.00 0.00 0.00 0.00 176.54 176.88 1j3z h ALA 70 N 1.24 0.65 -0.09 3.60 0.00 -1.14 -1.94 119.26 121.58 1j3z h ALA 70 Ca 0.26 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j3z h ALA 70 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1j3z h ALA 70 CO -0.05 0.56 -0.09 0.35 0.00 0.00 0.00 179.25 180.02 1j3z h PHE 71 N 0.76 -0.21 -0.63 0.00 3.04 -0.97 -2.04 116.94 116.89 1j3z h PHE 71 Ca 0.12 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.15 1j3z h PHE 71 Cb 0.67 0.11 -0.06 0.00 2.56 0.00 0.00 35.95 39.23 1j3z h PHE 71 CO 0.05 -0.13 0.32 1.03 -2.02 0.00 0.00 178.31 177.55 1j3z h SER 72 N -0.11 0.44 -0.85 0.41 0.87 -0.55 -0.40 113.55 113.36 1j3z h SER 72 Ca 0.07 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1j3z h SER 72 Cb 0.20 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 1j3z h SER 72 CO -0.16 0.28 0.56 0.44 -0.53 0.00 0.00 176.83 177.42 1j3z h ASP 73 N 0.58 0.94 0.30 6.23 3.32 -1.12 -1.95 116.42 124.72 1j3z h ASP 73 Ca 0.29 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1j3z h ASP 73 Cb 0.25 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1j3z h ASP 73 CO -0.22 0.66 -0.06 1.23 -1.72 0.00 0.00 179.24 179.13 1j3z h GLY 74 N 1.10 0.00 2.00 2.75 0.00 -0.34 -2.57 103.07 106.01 1j3z h GLY 74 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1j3z h GLY 74 CO -0.09 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.49 1j3z n LEU 75 N -3.49 0.51 -0.16 3.11 4.77 -0.73 -1.34 117.00 119.68 1j3z n LEU 75 Ca -0.02 0.63 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 1j3z n LEU 75 Cb 0.18 -0.57 0.79 0.00 -2.33 0.00 0.00 43.42 41.50 1j3z n LEU 75 CO 0.27 -0.50 1.02 0.00 -1.33 0.00 0.00 177.39 176.84 1j3z n ALA 76 N -1.71 2.66 -2.71 -1.18 0.00 -0.97 -4.25 120.51 112.35 1j3z n ALA 76 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.12 1j3z n ALA 76 Cb 0.21 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.64 1.36 0.30 0.00 8.25 -0.45 -4.93 115.22 119.12 1j3z n HIS 77 Ca 0.22 -2.49 0.18 0.00 -0.26 0.00 0.00 57.72 55.37 1j3z n HIS 77 Cb 0.20 -0.30 0.95 0.00 1.12 0.00 0.00 29.99 31.96 1j3z n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j3z h LEU 78 N 2.77 0.00 -0.34 2.41 -0.00 -1.74 -0.73 115.31 117.69 1j3z h LEU 78 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1j3z h LEU 78 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1j3z h LEU 78 CO 0.38 0.03 -0.21 0.47 -0.00 0.00 0.00 178.44 179.11 1j3z n ASP 79 N -3.33 0.73 -3.12 -0.43 8.00 -1.26 -4.31 116.55 112.83 1j3z n ASP 79 Ca -0.02 -0.67 -0.17 0.00 0.71 0.00 0.00 54.79 54.64 1j3z n ASP 79 Cb 0.16 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1j3z n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j3z n ASN 80 N -0.86 0.64 -0.08 -2.24 5.15 -0.29 -4.94 115.26 112.64 1j3z n ASN 80 Ca 0.12 -3.03 -0.10 0.00 -0.60 0.00 0.00 54.58 50.97 1j3z n ASN 80 Cb 0.32 -0.43 0.05 0.00 -0.53 0.00 0.00 39.78 39.19 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 2.99 0.82 -0.35 1.20 3.38 -1.73 -1.60 115.31 120.02 1j3z h LEU 81 Ca 0.07 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1j3z h LEU 81 Cb 1.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1j3z h LEU 81 CO 0.47 1.09 0.23 0.11 0.09 0.00 0.00 178.44 180.43 1j3z h LYS 82 N 0.65 0.47 -0.41 1.13 1.57 -1.89 -1.11 116.57 116.98 1j3z h LYS 82 Ca 0.06 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1j3z h LYS 82 Cb 0.90 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1j3z h LYS 82 CO 0.08 0.32 0.15 0.78 -0.57 0.00 0.00 179.45 180.21 1j3z h GLY 83 N 0.47 0.67 0.37 3.86 0.00 -1.93 -2.14 103.07 104.37 1j3z h GLY 83 Ca 0.13 -0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.18 1j3z h GLY 83 CO -0.03 0.36 0.32 -0.84 0.00 0.00 0.00 176.54 176.35 1j3z h THR 84 N 0.51 0.79 -0.70 4.70 2.02 -0.99 -2.63 112.91 116.61 1j3z h THR 84 Ca 0.13 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1j3z h THR 84 Cb 0.23 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1j3z h THR 84 CO -0.01 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.47 1j3z n PHE 85 N -4.92 1.22 -0.02 3.16 3.72 -0.45 -4.59 117.46 115.58 1j3z n PHE 85 Ca 0.12 -0.55 -0.11 0.00 -0.05 0.00 0.00 57.45 56.86 1j3z n PHE 85 Cb 0.31 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 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 4.24 0.18 -0.11 4.37 0.00 -0.99 0.20 119.26 127.14 1j3z h ALA 86 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1j3z h ALA 86 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1j3z h ALA 86 CO 0.11 -0.32 -0.47 1.79 0.00 0.00 0.00 179.25 180.35 1j3z h THR 87 N 0.16 1.33 -0.19 0.00 1.35 -1.81 -1.13 112.91 112.63 1j3z h THR 87 Ca 0.05 -1.67 -0.12 0.00 -0.55 0.00 0.00 66.41 64.11 1j3z h THR 87 Cb 0.01 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1j3z h THR 87 CO -0.01 0.50 -0.41 -0.07 -0.25 0.00 0.00 175.52 175.28 1j3z h LEU 88 N 0.22 0.46 0.04 3.87 3.38 -1.76 -1.37 115.31 120.14 1j3z h LEU 88 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1j3z h LEU 88 Cb 0.92 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1j3z h LEU 88 CO 0.07 0.82 -0.02 -1.28 0.09 0.00 0.00 178.44 178.13 1j3z h SER 89 N 0.36 -0.04 -0.82 -0.43 0.87 -0.26 -0.23 113.55 113.00 1j3z h SER 89 Ca 0.03 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1j3z h SER 89 Cb 0.88 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.79 1j3z h SER 89 CO 0.07 0.10 0.50 -0.33 -0.53 0.00 0.00 176.83 176.64 1j3z h GLU 90 N -0.17 0.90 -0.21 2.24 5.08 -1.10 -1.34 114.58 119.98 1j3z h GLU 90 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1j3z h GLU 90 Cb 0.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1j3z h GLU 90 CO 0.01 0.60 0.05 1.25 -1.00 0.00 0.00 179.01 179.91 1j3z h LEU 91 N 0.93 0.32 -1.35 1.33 5.85 -1.02 0.56 115.31 121.94 1j3z h LEU 91 Ca 0.35 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1j3z h LEU 91 Cb 0.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1j3z h LEU 91 CO -0.16 0.48 -0.32 0.45 -0.34 0.00 0.00 178.44 178.54 1j3z h HIS 92 N 0.16 0.00 0.24 1.25 3.86 -0.73 -1.00 115.15 118.92 1j3z h HIS 92 Ca 0.07 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1j3z h HIS 92 Cb 0.28 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1j3z h HIS 92 CO 0.01 0.33 -0.11 0.00 0.86 0.00 0.00 177.93 179.01 1j3z h ASP 94 N -0.92 0.26 0.00 0.00 3.32 -0.83 -3.10 116.42 115.15 1j3z h ASP 94 Ca -0.03 -0.23 -0.21 0.00 0.02 0.00 0.00 57.03 56.58 1j3z h ASP 94 Cb 0.24 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1j3z h ASP 94 CO 0.05 1.09 -1.78 0.29 -1.72 0.00 0.00 179.24 177.17 1j3z n LYS 95 N -3.58 0.74 0.01 3.56 4.76 -0.46 -4.74 118.16 118.44 1j3z n LYS 95 Ca -0.04 0.06 0.07 0.00 -2.87 0.00 0.00 58.31 55.53 1j3z n LYS 95 Cb 0.88 -1.28 -0.12 0.00 -1.84 0.00 0.00 35.03 32.67 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 -2.80 0.29 -3.67 -0.35 4.77 -0.70 -5.00 117.00 109.54 1j3z n LEU 96 Ca -0.23 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.65 1j3z n LEU 96 Cb 0.78 0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.98 1j3z n LEU 96 CO 0.16 0.04 -0.00 1.41 -1.33 0.00 0.00 177.39 177.66 1j3z n HIS 97 N -2.49 -2.04 -3.53 -1.77 8.25 -0.28 -4.96 115.22 108.40 1j3z n HIS 97 Ca -0.08 0.87 -0.40 0.00 -0.26 0.00 0.00 57.72 57.86 1j3z n HIS 97 Cb 0.67 -4.52 -0.10 0.00 1.12 0.00 0.00 29.99 27.16 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 -3.56 5.28 0.08 1.59 1.01 -0.48 -5.04 120.40 119.28 1j3z s VAL 98 Ca 0.09 -0.08 -0.34 0.00 0.00 0.00 0.00 61.98 61.65 1j3z s VAL 98 Cb -0.04 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 1j3z s VAL 98 CO 0.79 0.04 1.66 -0.67 0.00 0.00 0.00 175.10 176.92 1j3z n ASP 99 N 5.13 3.12 0.09 3.32 -0.08 -1.26 -4.72 116.55 122.14 1j3z n ASP 99 Ca -0.12 1.05 0.08 0.00 -1.51 0.00 0.00 54.79 54.28 1j3z n ASP 99 Cb 0.50 -1.40 0.37 0.00 2.34 0.00 0.00 41.12 42.93 1j3z n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1j3z n PRO 100 N 4.33 0.09 0.14 -0.67 -0.02 -1.26 -1.34 135.00 136.27 1j3z n PRO 100 Ca 0.19 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.32 1j3z n PRO 100 Cb 0.28 -1.75 0.67 0.00 -0.02 0.00 0.00 33.50 32.68 1j3z n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j3z h GLU 101 N 0.00 0.00 -0.48 -0.52 4.57 -1.98 -0.68 114.58 115.49 1j3z h GLU 101 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1j3z h GLU 101 Cb 0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1j3z h GLU 101 CO 0.00 0.00 0.32 -0.91 -1.18 0.00 0.00 179.01 177.24 1j3z h ASN 102 N 0.00 0.51 -0.43 1.04 4.21 -1.58 -1.53 115.58 117.81 1j3z h ASN 102 Ca 0.12 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.54 1j3z h ASN 102 Cb 0.49 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 1j3z h ASN 102 CO -0.00 0.36 -0.02 -0.26 -1.29 0.00 0.00 177.43 176.22 1j3z h PHE 103 N 0.60 0.91 -0.23 1.19 0.04 -1.31 -0.49 116.94 117.65 1j3z h PHE 103 Ca 0.19 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1j3z h PHE 103 Cb 0.02 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1j3z h PHE 103 CO -0.00 0.84 -0.04 0.00 -0.60 0.00 0.00 178.31 178.51 1j3z h ARG 104 N 0.78 0.43 -0.27 1.51 3.08 -1.35 -1.20 114.38 117.35 1j3z h ARG 104 Ca 0.15 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1j3z h ARG 104 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1j3z h ARG 104 CO 0.02 0.65 0.18 -0.07 -1.07 0.00 0.00 179.97 179.68 1j3z h LEU 105 N 0.17 0.31 -1.00 3.04 3.38 -1.15 -2.08 115.31 117.97 1j3z h LEU 105 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j3z h LEU 105 Cb 0.48 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1j3z h LEU 105 CO 0.02 0.22 0.63 0.25 0.09 0.00 0.00 178.44 179.65 1j3z h LEU 106 N 0.37 1.14 -0.68 1.67 5.85 -1.02 -1.19 115.31 121.44 1j3z h LEU 106 Ca 0.10 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1j3z h LEU 106 Cb -0.04 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 40.64 1j3z h LEU 106 CO -0.02 0.84 0.35 1.23 -0.34 0.00 0.00 178.44 180.50 1j3z h GLY 107 N 1.34 1.01 1.79 3.75 0.00 -0.82 0.12 103.07 110.25 1j3z h GLY 107 Ca 0.36 -0.23 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 1j3z h GLY 107 CO -0.07 0.10 -0.81 3.43 0.00 0.00 0.00 176.54 179.18 1j3z h ASN 108 N 0.63 0.24 -0.54 0.19 2.35 -0.76 -1.61 115.58 116.09 1j3z h ASN 108 Ca 0.32 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1j3z h ASN 108 Cb 0.29 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1j3z h ASN 108 CO -0.23 0.95 0.18 0.58 -1.65 0.00 0.00 177.43 177.27 1j3z h VAL 109 N 0.12 1.23 -0.90 2.81 2.07 -0.87 -2.09 116.25 118.62 1j3z h VAL 109 Ca -0.03 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1j3z h VAL 109 Cb 1.41 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1j3z h VAL 109 CO 0.12 0.28 0.59 0.25 0.02 0.00 0.00 177.57 178.84 1j3z h LEU 110 N 0.73 1.02 -0.89 2.57 5.85 -0.54 -0.10 115.31 123.94 1j3z h LEU 110 Ca 0.17 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1j3z h LEU 110 Cb 0.25 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1j3z h LEU 110 CO -0.01 0.73 0.45 0.58 -0.34 0.00 0.00 178.44 179.85 1j3z h VAL 111 N 1.20 1.26 -0.77 1.05 2.07 -1.02 -0.50 116.25 119.54 1j3z h VAL 111 Ca 0.33 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1j3z h VAL 111 Cb -0.11 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.74 1j3z h VAL 111 CO -0.08 0.30 0.36 0.00 0.02 0.00 0.00 177.57 178.18 1j3z h VAL 113 N 1.09 1.26 -0.61 0.00 2.07 -0.53 0.58 116.25 120.11 1j3z h VAL 113 Ca 0.26 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1j3z h VAL 113 Cb 0.13 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1j3z h VAL 113 CO -0.03 0.40 0.30 -0.07 0.02 0.00 0.00 177.57 178.19 1j3z h LEU 114 N 0.88 0.79 -0.63 2.57 3.38 -0.93 -0.04 115.31 121.34 1j3z h LEU 114 Ca 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j3z h LEU 114 Cb 0.52 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1j3z h LEU 114 CO 0.03 0.69 0.37 0.00 0.09 0.00 0.00 178.44 179.62 1j3z h ALA 115 N 1.13 0.80 -0.68 1.53 0.00 -0.95 -0.26 119.26 120.83 1j3z h ALA 115 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1j3z h ALA 115 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1j3z h ALA 115 CO -0.03 0.29 0.21 1.25 0.00 0.00 0.00 179.25 180.97 1j3z h HIS 116 N 0.86 1.11 -0.13 0.00 -0.00 -0.51 0.64 115.15 117.12 1j3z h HIS 116 Ca 0.23 -0.12 -0.16 0.00 -0.00 0.00 0.00 60.37 60.32 1j3z h HIS 116 Cb -0.01 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1j3z h HIS 116 CO -0.02 0.89 -0.56 1.25 -0.00 0.00 0.00 177.93 179.50 1j3z h HIS 117 N 1.01 0.81 0.00 5.26 6.17 -0.75 -3.35 115.15 124.29 1j3z h HIS 117 Ca 0.22 -0.35 0.00 0.00 0.71 0.00 0.00 60.37 60.95 1j3z h HIS 117 Cb 0.31 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.11 1j3z h HIS 117 CO 0.02 1.14 -1.27 1.19 0.71 0.00 0.00 177.93 179.72 1j3z n PHE 118 N -4.16 0.37 -0.88 5.26 3.72 -0.13 -5.03 117.46 116.61 1j3z n PHE 118 Ca -0.08 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1j3z n PHE 118 Cb 0.63 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.29 3.49 0.30 1.37 0.00 0.21 -2.32 105.19 109.54 1j3z n GLY 119 Ca -0.00 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 0.04 116.57 116.26 1j3z h LYS 120 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 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 -0.12 1.49 -0.00 0.00 0.00 179.45 180.84 1j3z h GLU 121 N 0.00 0.00 -4.57 0.07 4.81 -1.85 -3.30 114.58 109.74 1j3z h GLU 121 Ca -0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1j3z h GLU 121 Cb 0.12 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.39 1j3z h GLU 121 CO 0.00 0.12 2.21 0.34 -0.73 0.00 0.00 179.01 180.96 1j3z n PHE 122 N -3.84 4.04 -1.45 0.92 7.35 0.00 -4.93 117.46 119.56 1j3z n PHE 122 Ca -0.02 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.39 1j3z n PHE 122 Cb 0.22 -2.35 0.11 0.00 0.35 0.00 0.00 39.48 37.81 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 2.45 2.74 0.23 -2.13 -4.23 -1.24 -4.67 115.64 108.79 1j3z s THR 123 Ca 0.46 0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1j3z s THR 123 Cb 0.06 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 71.18 1j3z s THR 123 CO 0.00 -0.31 1.79 -0.65 -0.54 0.00 0.00 174.62 174.91 1j3z h PRO 124 N -1.31 0.66 -0.46 3.99 0.11 -1.93 0.55 132.00 133.61 1j3z h PRO 124 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1j3z h PRO 124 Cb 1.29 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1j3z h PRO 124 CO 0.58 0.44 0.11 -1.35 -0.21 0.00 0.00 178.00 177.57 1j3z h PRO 125 N 0.68 0.69 -0.37 1.05 0.11 -1.99 -0.43 132.00 131.73 1j3z h PRO 125 Ca 0.36 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.24 1j3z h PRO 125 Cb 0.34 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1j3z h PRO 125 CO -0.25 0.63 -0.15 0.28 -0.21 0.00 0.00 178.00 178.30 1j3z h VAL 126 N 0.67 1.28 -0.49 3.15 2.07 -1.67 -2.34 116.25 118.92 1j3z h VAL 126 Ca 0.15 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1j3z h VAL 126 Cb 0.26 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1j3z h VAL 126 CO -0.00 0.42 0.28 -0.61 0.02 0.00 0.00 177.57 177.67 1j3z h GLN 127 N 0.56 0.53 -0.84 1.57 4.15 -0.74 -1.38 115.11 118.96 1j3z h GLN 127 Ca 0.09 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1j3z h GLN 127 Cb 0.69 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1j3z h GLN 127 CO 0.05 0.35 0.55 0.00 -1.93 0.00 0.00 178.83 177.85 1j3z h ALA 128 N 1.24 1.44 -0.34 3.38 0.00 -0.81 0.25 119.26 124.41 1j3z h ALA 128 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1j3z h ALA 128 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j3z h ALA 128 CO -0.11 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 1j3z h ALA 129 N 1.49 0.45 -0.13 0.00 0.00 -1.11 -2.59 119.26 117.38 1j3z h ALA 129 Ca 0.32 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1j3z h ALA 129 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1j3z h ALA 129 CO -0.08 0.24 -0.16 1.88 0.00 0.00 0.00 179.25 181.12 1j3z h TYR 130 N 0.41 0.22 -0.75 0.00 0.05 -0.25 -1.77 116.97 114.88 1j3z h TYR 130 Ca 0.09 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1j3z h TYR 130 Cb 0.49 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 1j3z h TYR 130 CO 0.04 0.37 0.30 1.96 -1.05 0.00 0.00 178.16 179.78 1j3z h GLN 131 N 0.20 1.12 -0.53 4.88 1.08 -0.35 -0.14 115.11 121.36 1j3z h GLN 131 Ca 0.04 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1j3z h GLN 131 Cb 0.41 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1j3z h GLN 131 CO 0.03 0.91 0.24 0.87 -0.95 0.00 0.00 178.83 179.93 1j3z h LYS 132 N 1.10 0.78 -0.04 1.46 1.57 -1.01 -1.49 116.57 118.93 1j3z h LYS 132 Ca 0.25 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1j3z h LYS 132 Cb 0.21 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1j3z h LYS 132 CO -0.02 0.66 0.02 0.28 -0.57 0.00 0.00 179.45 179.81 1j3z h VAL 133 N 0.72 1.12 -0.22 0.50 2.07 -0.89 -1.00 116.25 118.56 1j3z h VAL 133 Ca 0.18 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1j3z h VAL 133 Cb 0.15 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1j3z h VAL 133 CO -0.02 0.10 -0.37 1.62 0.02 0.00 0.00 177.57 178.92 1j3z h VAL 134 N -0.08 1.30 -0.51 2.57 3.04 -0.98 0.38 116.25 121.96 1j3z h VAL 134 Ca 0.01 -1.49 -0.09 0.00 -1.01 0.00 0.00 66.70 64.12 1j3z h VAL 134 Cb 0.15 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.94 1j3z h VAL 134 CO -0.00 0.47 -0.04 0.00 -1.01 0.00 0.00 177.57 176.99 1j3z h ALA 135 N 1.20 0.70 -0.48 3.17 0.00 -1.21 -1.59 119.26 121.05 1j3z h ALA 135 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1j3z h ALA 135 Cb 0.83 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1j3z h ALA 135 CO 0.07 0.54 0.17 0.78 0.00 0.00 0.00 179.25 180.81 1j3z h GLY 136 N 0.80 0.79 0.87 0.00 0.00 -0.48 -0.22 103.07 104.82 1j3z h GLY 136 Ca 0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1j3z h GLY 136 CO 0.03 0.43 0.05 -2.08 0.00 0.00 0.00 176.54 174.97 1j3z h VAL 137 N 0.64 1.23 -0.65 4.60 2.07 -0.89 0.15 116.25 123.39 1j3z h VAL 137 Ca 0.16 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1j3z h VAL 137 Cb 0.24 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1j3z h VAL 137 CO -0.01 0.24 0.42 0.00 0.02 0.00 0.00 177.57 178.25 1j3z h ALA 138 N 0.86 0.82 -0.65 1.67 0.00 -1.19 0.37 119.26 121.14 1j3z h ALA 138 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1j3z h ALA 138 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1j3z h ALA 138 CO 0.00 0.23 0.17 -0.91 0.00 0.00 0.00 179.25 178.75 1j3z h ASN 139 N 0.86 0.95 -0.50 0.00 -0.26 -0.86 -1.40 115.58 114.37 1j3z h ASN 139 Ca 0.24 -0.19 -0.06 0.00 -0.56 0.00 0.00 56.30 55.73 1j3z h ASN 139 Cb -0.08 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.91 1j3z h ASN 139 CO -0.06 0.91 0.06 0.00 -1.06 0.00 0.00 177.43 177.29 1j3z h ALA 140 N 1.21 0.67 0.00 -0.83 0.00 -0.51 -2.35 119.26 117.44 1j3z h ALA 140 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1j3z h ALA 140 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1j3z h ALA 140 CO -0.00 0.42 -0.18 -0.07 0.00 0.00 0.00 179.25 179.42 1j3z h LEU 141 N 0.71 0.00 0.00 0.00 3.38 -0.70 -2.53 115.31 116.18 1j3z h LEU 141 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1j3z h LEU 141 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1j3z h LEU 141 CO 0.01 0.18 -0.35 0.00 0.09 0.00 0.00 178.44 178.38 1j3z n ALA 142 N -2.25 2.99 0.08 1.53 0.00 -0.55 -4.41 120.51 117.91 1j3z n ALA 142 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 1j3z n ALA 142 Cb 0.35 -1.26 0.22 0.00 0.00 0.00 0.00 19.45 18.76 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 0.32 -0.55 0.00 6.17 -0.97 -2.58 115.15 117.54 1j3z h HIS 143 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 60.99 1j3z h HIS 143 Cb 0.57 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.42 1j3z h HIS 143 CO 0.00 0.64 0.00 1.63 0.71 0.00 0.00 177.93 180.91 1j3z n LYS 144 N -4.04 2.41 -2.17 5.26 4.76 -1.26 -4.94 118.16 118.18 1j3z n LYS 144 Ca -0.01 -2.04 -0.37 0.00 -2.87 0.00 0.00 58.31 53.02 1j3z n LYS 144 Cb 0.47 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1j3z n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j3z s TYR 145 N -1.33 2.72 0.00 2.13 1.51 -0.97 -4.72 117.35 116.69 1j3z s TYR 145 Ca 0.38 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 1j3z s TYR 145 Cb 0.20 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1j3z s TYR 145 CO 0.24 -1.76 0.00 -2.39 -1.11 0.00 0.00 175.55 170.54