#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 2.19 0.03 3.52 5.65 -1.26 -4.80 115.29 120.61 1j3z s HIS 2 Ca 0.00 -1.56 -0.16 0.00 0.25 0.00 0.00 55.06 53.59 1j3z s HIS 2 Cb 0.00 -1.51 -0.06 0.00 -1.18 0.00 0.00 32.58 29.83 1j3z s HIS 2 CO 0.00 -0.73 0.45 -0.51 -0.65 0.00 0.00 174.74 173.30 1j3z s LEU 3 N 1.47 4.48 0.60 8.88 1.02 -1.26 -5.08 118.68 128.78 1j3z s LEU 3 Ca -0.04 1.04 -0.15 0.00 0.02 0.00 0.00 54.13 55.01 1j3z s LEU 3 Cb -0.18 -2.70 -0.03 0.00 0.02 0.00 0.00 46.19 43.30 1j3z s LEU 3 CO -0.07 0.30 1.05 0.28 0.02 0.00 0.00 176.35 177.93 1j3z s THR 4 N -1.11 3.95 0.36 5.49 -1.32 -1.26 -4.82 115.64 116.93 1j3z s THR 4 Ca 0.26 0.87 0.12 0.00 -1.21 0.00 0.00 61.69 61.72 1j3z s THR 4 Cb -0.17 -3.44 0.34 0.00 -1.51 0.00 0.00 72.50 67.72 1j3z s THR 4 CO 0.15 -0.60 1.81 -0.65 -2.21 0.00 0.00 174.62 173.13 1j3z h PRO 5 N 0.29 0.58 -0.49 7.08 0.11 -1.99 0.51 132.00 138.10 1j3z h PRO 5 Ca -0.46 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1j3z h PRO 5 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1j3z h PRO 5 CO 0.58 0.39 -0.09 0.93 -0.21 0.00 0.00 178.00 179.60 1j3z h GLU 6 N 0.60 0.93 -0.30 1.05 3.07 -1.99 -1.26 114.58 116.68 1j3z h GLU 6 Ca 0.53 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1j3z h GLU 6 Cb 1.04 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 1j3z h GLU 6 CO -0.28 1.00 0.05 0.93 -1.40 0.00 0.00 179.01 179.31 1j3z h GLU 7 N 0.79 0.49 -0.37 2.33 5.08 -1.67 -2.07 114.58 119.17 1j3z h GLU 7 Ca 0.13 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1j3z h GLU 7 Cb 0.63 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1j3z h GLU 7 CO 0.04 0.59 0.15 0.87 -1.00 0.00 0.00 179.01 179.66 1j3z h LYS 8 N 0.32 0.30 -0.70 2.33 1.57 -0.85 -0.48 116.57 119.06 1j3z h LYS 8 Ca 0.09 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1j3z h LYS 8 Cb 0.33 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1j3z h LYS 8 CO 0.01 0.20 0.32 0.66 -0.57 0.00 0.00 179.45 180.07 1j3z h SER 9 N 0.31 0.91 -0.58 0.86 4.64 -1.18 -0.81 113.55 117.71 1j3z h SER 9 Ca 0.16 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1j3z h SER 9 Cb 0.12 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1j3z h SER 9 CO -0.15 0.78 -0.00 0.00 -0.87 0.00 0.00 176.83 176.59 1j3z h ALA 10 N 1.36 0.88 -0.09 5.18 0.00 -0.83 -0.84 119.26 124.91 1j3z h ALA 10 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1j3z h ALA 10 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1j3z h ALA 10 CO -0.03 0.66 0.02 0.28 0.00 0.00 0.00 179.25 180.18 1j3z h VAL 11 N 0.95 1.19 -0.36 0.00 2.07 -0.74 -2.75 116.25 116.60 1j3z h VAL 11 Ca 0.17 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 1j3z h VAL 11 Cb 0.55 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1j3z h VAL 11 CO 0.03 0.17 -0.26 0.74 0.02 0.00 0.00 177.57 178.27 1j3z h THR 12 N -0.06 1.27 0.03 2.57 2.02 -1.07 -1.21 112.91 116.46 1j3z h THR 12 Ca 0.03 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1j3z h THR 12 Cb 0.25 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1j3z h THR 12 CO 0.00 0.46 -0.01 0.00 0.37 0.00 0.00 175.52 176.33 1j3z h ALA 13 N 1.07 -0.03 -0.52 6.16 0.00 -1.17 -1.91 119.26 122.85 1j3z h ALA 13 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1j3z h ALA 13 Cb 0.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1j3z h ALA 13 CO 0.06 -0.46 0.25 1.25 0.00 0.00 0.00 179.25 180.35 1j3z h LEU 14 N -0.15 0.69 -1.23 0.00 6.46 -1.41 -3.14 115.31 116.53 1j3z h LEU 14 Ca -0.00 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.56 1j3z h LEU 14 Cb 0.14 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1j3z h LEU 14 CO 0.01 0.63 -0.22 -0.25 -0.62 0.00 0.00 178.44 177.98 1j3z h TRP 15 N 0.70 0.28 0.00 1.25 2.91 -1.02 -0.47 115.95 119.60 1j3z h TRP 15 Ca 0.18 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1j3z h TRP 15 Cb 0.12 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 1j3z h TRP 15 CO -0.00 0.46 0.05 0.78 -1.03 0.00 0.00 178.44 178.70 1j3z h GLY 16 N 0.91 0.00 -1.94 2.65 0.00 -1.30 -0.63 103.07 102.77 1j3z h GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1j3z h GLY 16 CO 0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.86 1j3z n LYS 17 N -2.87 2.22 -2.96 4.80 5.02 -0.19 -4.99 118.16 119.19 1j3z n LYS 17 Ca -0.03 -1.98 -0.40 0.00 -2.02 0.00 0.00 58.31 53.88 1j3z n LYS 17 Cb 0.11 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.67 5.00 -0.81 -0.18 1.01 -0.24 -5.00 120.40 118.51 1j3z s VAL 18 Ca 0.30 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.65 1j3z s VAL 18 Cb 0.20 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.52 1j3z s VAL 18 CO 0.28 0.23 1.21 0.21 0.00 0.00 0.00 175.10 177.04 1j3z s ASN 19 N 0.85 6.31 0.43 3.32 3.84 -1.26 -4.91 114.94 123.52 1j3z s ASN 19 Ca 0.41 -1.04 0.11 0.00 0.21 0.00 0.00 52.86 52.56 1j3z s ASN 19 Cb -0.19 -2.50 0.98 0.00 -0.55 0.00 0.00 41.25 38.99 1j3z s ASN 19 CO 0.21 -1.55 2.01 0.58 -2.79 0.00 0.00 177.10 175.56 1j3z h VAL 20 N 6.17 0.98 0.01 -5.21 2.07 -1.95 -0.79 116.25 117.53 1j3z h VAL 20 Ca -0.11 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1j3z h VAL 20 Cb 1.04 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1j3z h VAL 20 CO 1.27 0.08 -0.01 0.44 0.02 0.00 0.00 177.57 179.37 1j3z h ASP 21 N 0.45 -0.01 -0.16 0.57 5.19 -1.92 0.27 116.42 120.81 1j3z h ASP 21 Ca 0.22 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1j3z h ASP 21 Cb 0.30 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1j3z h ASP 21 CO -0.06 0.29 -0.07 -0.33 -3.12 0.00 0.00 179.24 175.95 1j3z h GLU 22 N -0.32 0.33 -0.46 3.56 5.08 -1.91 -1.64 114.58 119.22 1j3z h GLU 22 Ca -0.00 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1j3z h GLU 22 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1j3z h GLU 22 CO 0.00 0.64 -0.03 0.28 -1.00 0.00 0.00 179.01 178.90 1j3z h VAL 23 N 0.00 1.27 -0.22 3.13 2.07 -1.18 0.41 116.25 121.73 1j3z h VAL 23 Ca 0.04 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1j3z h VAL 23 Cb 0.54 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1j3z h VAL 23 CO 0.02 0.38 0.04 1.23 0.02 0.00 0.00 177.57 179.27 1j3z h GLY 24 N 0.68 0.38 1.29 2.17 0.00 -0.48 0.12 103.07 107.23 1j3z h GLY 24 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1j3z h GLY 24 CO 0.03 0.23 0.10 -1.33 0.00 0.00 0.00 176.54 175.57 1j3z h GLY 25 N 0.16 0.95 0.94 4.60 0.00 -1.20 -1.53 103.07 106.99 1j3z h GLY 25 Ca 0.07 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 1j3z h GLY 25 CO 0.00 0.55 -0.20 -2.09 0.00 0.00 0.00 176.54 174.80 1j3z h GLU 26 N 0.84 0.66 -0.13 4.80 4.57 -0.78 -1.49 114.58 123.06 1j3z h GLU 26 Ca 0.18 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1j3z h GLU 26 Cb 0.36 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1j3z h GLU 26 CO 0.01 0.91 0.01 0.00 -1.18 0.00 0.00 179.01 178.76 1j3z h ALA 27 N 0.73 0.17 -0.52 2.92 0.00 -0.57 -0.75 119.26 121.25 1j3z h ALA 27 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1j3z h ALA 27 Cb 0.75 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1j3z h ALA 27 CO 0.06 -0.15 0.11 1.25 0.00 0.00 0.00 179.25 180.52 1j3z h LEU 28 N -0.03 0.79 -0.27 0.00 5.85 -1.35 -0.82 115.31 119.49 1j3z h LEU 28 Ca 0.04 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1j3z h LEU 28 Cb 0.34 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1j3z h LEU 28 CO 0.00 0.83 0.14 1.23 -0.34 0.00 0.00 178.44 180.30 1j3z h GLY 29 N 0.72 0.36 1.65 3.75 0.00 -1.22 -2.18 103.07 106.15 1j3z h GLY 29 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1j3z h GLY 29 CO 0.00 0.08 -0.11 3.21 0.00 0.00 0.00 176.54 179.73 1j3z h ARG 30 N 0.29 0.43 -0.46 4.80 3.08 -1.03 -1.46 114.38 120.02 1j3z h ARG 30 Ca 0.11 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1j3z h ARG 30 Cb 0.03 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1j3z h ARG 30 CO -0.07 0.55 0.22 1.25 -1.07 0.00 0.00 179.97 180.84 1j3z h LEU 31 N 0.40 0.30 -1.14 3.04 5.85 -0.65 0.18 115.31 123.28 1j3z h LEU 31 Ca 0.08 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1j3z h LEU 31 Cb 0.45 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1j3z h LEU 31 CO 0.03 0.21 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.86 1j3z h LEU 32 N 0.43 0.00 0.11 2.25 3.38 -0.87 -0.86 115.31 119.76 1j3z h LEU 32 Ca 0.21 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 1j3z h LEU 32 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1j3z h LEU 32 CO -0.16 0.40 -1.21 0.58 0.09 0.00 0.00 178.44 178.15 1j3z h VAL 33 N 0.00 1.18 0.10 1.22 2.07 -0.79 -3.23 116.25 116.79 1j3z h VAL 33 Ca -0.00 -2.43 -0.27 0.00 0.82 0.00 0.00 66.70 64.82 1j3z h VAL 33 Cb 0.77 2.84 0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1j3z h VAL 33 CO 0.05 0.69 -1.18 0.58 0.02 0.00 0.00 177.57 177.73 1j3z h VAL 34 N -0.37 1.43 -2.53 2.57 2.07 -0.70 -3.36 116.25 115.36 1j3z h VAL 34 Ca -0.25 -2.79 -0.60 0.00 0.82 0.00 0.00 66.70 63.87 1j3z h VAL 34 Cb 1.69 2.78 -0.41 0.00 -1.52 0.00 0.00 31.29 33.82 1j3z h VAL 34 CO 0.07 0.83 -0.66 -1.22 0.02 0.00 0.00 177.57 176.60 1j3z n TYR 35 N -3.64 2.76 0.27 1.57 4.01 -0.33 -4.97 117.16 116.84 1j3z n TYR 35 Ca -0.09 -4.10 0.16 0.00 -0.16 0.00 0.00 57.90 53.72 1j3z n TYR 35 Cb 0.97 -0.50 0.84 0.00 -0.31 0.00 0.00 39.34 40.34 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 4.74 0.00 0.00 -0.72 0.13 -1.71 -0.63 132.00 133.81 1j3z h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1j3z h PRO 36 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1j3z h PRO 36 CO 0.72 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.57 1j3z h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.53 115.95 114.16 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.33 1j3z h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1j3z n THR 38 N -3.49 1.06 0.33 0.12 -2.24 -0.24 -2.39 114.28 107.42 1j3z n THR 38 Ca -0.02 0.31 0.08 0.00 -2.27 0.00 0.00 64.05 62.15 1j3z n THR 38 Cb 0.13 -1.17 0.38 0.00 -2.10 0.00 0.00 70.33 67.56 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 -1.81 0.10 0.16 -0.78 6.02 -0.58 -3.35 117.38 117.14 1j3z n GLN 39 Ca 0.02 0.42 0.17 0.00 -0.01 0.00 0.00 57.00 57.60 1j3z n GLN 39 Cb 0.16 -1.72 0.77 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.69 -0.36 114.38 111.35 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 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1j3z h ARG 40 CO 0.00 0.00 -0.35 1.19 0.10 0.00 0.00 179.97 180.91 1j3z n PHE 41 N -4.02 0.01 -1.57 4.08 3.72 -1.21 -4.45 117.46 114.02 1j3z n PHE 41 Ca 0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 1j3z n PHE 41 Cb 0.38 -0.33 0.11 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.51 0.00 0.15 1.38 3.72 -0.15 -4.77 117.46 116.29 1j3z n PHE 42 Ca 0.06 -0.86 0.06 0.00 -0.05 0.00 0.00 57.45 56.66 1j3z n PHE 42 Cb 0.34 -0.15 0.54 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.37 0.22 0.00 -1.08 4.39 -1.77 0.33 114.58 117.04 1j3z h GLU 43 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1j3z h GLU 43 Cb 1.19 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1j3z h GLU 43 CO 0.01 0.17 0.00 -1.13 -1.16 0.00 0.00 179.01 176.90 1j3z n SER 44 N -4.49 0.22 0.05 1.42 3.41 -1.26 -2.17 113.62 110.80 1j3z n SER 44 Ca -0.01 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1j3z n SER 44 Cb 0.10 -0.61 0.45 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.76 0.40 -0.13 7.33 3.01 0.11 -5.00 117.46 121.42 1j3z n PHE 45 Ca 0.02 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1j3z n PHE 45 Cb 0.12 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 38.86 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 0.66 0.90 3.61 1.37 0.00 -0.92 -4.73 105.19 106.07 1j3z n GLY 46 Ca 0.04 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 6.38 -0.12 1.61 2.15 -1.26 -4.83 116.67 116.60 1j3z s ASP 47 Ca 0.00 1.03 0.15 0.00 0.43 0.00 0.00 52.55 54.15 1j3z s ASP 47 Cb 0.00 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.41 1j3z s ASP 47 CO 0.00 -1.36 1.16 0.18 -0.17 0.00 0.00 175.17 174.98 1j3z n LEU 48 N 8.63 1.90 0.12 -1.34 4.77 -1.26 -4.20 117.00 125.62 1j3z n LEU 48 Ca 0.17 -2.91 -0.00 0.00 -0.03 0.00 0.00 56.01 53.23 1j3z n LEU 48 Cb 0.47 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1j3z n LEU 48 CO 0.68 0.88 0.39 0.77 -1.33 0.00 0.00 177.39 178.78 1j3z h SER 49 N 0.60 0.00 -3.75 -1.43 4.64 -1.91 -3.44 113.55 108.26 1j3z h SER 49 Ca -0.05 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.90 1j3z h SER 49 Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 1j3z h SER 49 CO 0.02 0.66 -0.70 0.42 -0.87 0.00 0.00 176.83 176.36 1j3z s THR 50 N -2.98 1.25 0.19 2.95 -4.23 -1.26 -5.02 115.64 106.54 1j3z s THR 50 Ca 0.02 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.32 1j3z s THR 50 Cb 0.09 -2.06 0.16 0.00 1.34 0.00 0.00 72.50 72.03 1j3z s THR 50 CO 0.76 -0.58 1.67 -0.65 -0.54 0.00 0.00 174.62 175.29 1j3z h PRO 51 N 2.63 0.08 -0.94 3.99 0.11 -1.98 -0.79 132.00 135.09 1j3z h PRO 51 Ca -0.37 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1j3z h PRO 51 Cb 1.21 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1j3z h PRO 51 CO 0.64 0.05 0.58 -0.44 -0.21 0.00 0.00 178.00 178.62 1j3z h ASP 52 N 0.08 1.12 -0.49 -2.05 3.32 -1.99 -1.08 116.42 115.34 1j3z h ASP 52 Ca 0.27 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1j3z h ASP 52 Cb 0.41 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1j3z h ASP 52 CO -0.48 0.85 0.25 0.00 -1.72 0.00 0.00 179.24 178.14 1j3z h ALA 53 N 1.34 0.63 0.06 3.45 0.00 -1.74 -1.99 119.26 121.01 1j3z h ALA 53 Ca 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1j3z h ALA 53 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1j3z h ALA 53 CO -0.07 0.18 -0.03 0.28 0.00 0.00 0.00 179.25 179.61 1j3z h VAL 54 N 0.65 0.99 -0.45 0.00 2.07 -0.70 -2.24 116.25 116.58 1j3z h VAL 54 Ca 0.17 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1j3z h VAL 54 Cb 0.09 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1j3z h VAL 54 CO -0.02 0.04 -0.07 0.24 0.02 0.00 0.00 177.57 177.78 1j3z h MET 55 N -0.16 0.78 -0.01 1.57 2.07 -1.16 -2.61 114.93 115.42 1j3z h MET 55 Ca -0.01 -0.24 0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1j3z h MET 55 Cb 0.14 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.79 1j3z h MET 55 CO 0.01 0.83 -0.08 0.41 1.07 0.00 0.00 176.91 179.16 1j3z n GLY 56 N -0.52 -0.42 3.67 8.32 0.00 -0.75 -4.79 105.19 110.70 1j3z n GLY 56 Ca 0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.20 6.60 0.40 1.61 3.84 -0.84 -4.89 114.94 119.45 1j3z s ASN 57 Ca 0.34 2.40 0.08 0.00 0.21 0.00 0.00 52.86 55.89 1j3z s ASN 57 Cb 0.21 -2.54 0.81 0.00 -0.55 0.00 0.00 41.25 39.18 1j3z s ASN 57 CO 0.41 -0.95 1.98 -0.65 -2.79 0.00 0.00 177.10 175.10 1j3z h PRO 58 N 9.48 0.40 -0.01 0.43 0.11 -1.91 -1.23 132.00 139.27 1j3z h PRO 58 Ca -0.43 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 1j3z h PRO 58 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1j3z h PRO 58 CO 0.94 0.38 -0.73 0.87 -0.21 0.00 0.00 178.00 179.25 1j3z h LYS 59 N 0.40 0.10 -0.31 1.05 1.57 -1.90 -1.03 116.57 116.45 1j3z h LYS 59 Ca 0.10 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1j3z h LYS 59 Cb 0.16 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1j3z h LYS 59 CO -0.00 0.78 -0.16 0.28 -0.57 0.00 0.00 179.45 179.78 1j3z h VAL 60 N 0.06 1.29 -0.47 0.50 2.07 -1.72 -0.87 116.25 117.12 1j3z h VAL 60 Ca -0.02 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1j3z h VAL 60 Cb 1.29 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1j3z h VAL 60 CO 0.10 0.41 0.29 0.11 0.02 0.00 0.00 177.57 178.50 1j3z h LYS 61 N 0.40 0.63 -0.51 1.57 1.57 -1.17 0.18 116.57 119.25 1j3z h LYS 61 Ca 0.07 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1j3z h LYS 61 Cb 0.69 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1j3z h LYS 61 CO 0.05 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 1j3z h ALA 62 N 1.14 0.68 -0.26 3.86 0.00 -1.10 -1.99 119.26 121.59 1j3z h ALA 62 Ca 0.17 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1j3z h ALA 62 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1j3z h ALA 62 CO -0.03 0.49 -0.52 1.25 0.00 0.00 0.00 179.25 180.44 1j3z h HIS 63 N 0.76 0.92 -0.90 0.00 -0.00 -0.96 -1.84 115.15 113.14 1j3z h HIS 63 Ca 0.14 -0.32 0.01 0.00 -0.00 0.00 0.00 60.37 60.21 1j3z h HIS 63 Cb 0.51 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.70 1j3z h HIS 63 CO 0.04 1.10 0.59 0.78 -0.00 0.00 0.00 177.93 180.45 1j3z h GLY 64 N 0.87 1.27 0.98 5.26 0.00 -0.88 0.80 103.07 111.37 1j3z h GLY 64 Ca 0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1j3z h GLY 64 CO 0.11 0.44 0.23 1.70 0.00 0.00 0.00 176.54 179.02 1j3z h LYS 65 N 1.20 0.77 -0.27 4.80 3.64 -1.17 -0.85 116.57 124.69 1j3z h LYS 65 Ca 0.34 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1j3z h LYS 65 Cb -0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1j3z h LYS 65 CO -0.08 0.66 0.09 -0.22 -2.27 0.00 0.00 179.45 177.62 1j3z h LYS 66 N 0.71 0.42 -0.18 1.90 3.64 -0.76 0.94 116.57 123.23 1j3z h LYS 66 Ca 0.18 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1j3z h LYS 66 Cb 0.16 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1j3z h LYS 66 CO -0.02 0.48 0.10 0.28 -2.27 0.00 0.00 179.45 178.02 1j3z h VAL 67 N 0.27 1.09 0.00 2.00 2.07 -0.80 -2.11 116.25 118.78 1j3z h VAL 67 Ca 0.09 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1j3z h VAL 67 Cb 0.24 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1j3z h VAL 67 CO -0.00 0.09 -0.30 -0.07 0.02 0.00 0.00 177.57 177.30 1j3z h LEU 68 N 0.19 0.00 -0.34 2.57 3.38 -1.06 -1.05 115.31 119.01 1j3z h LEU 68 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j3z h LEU 68 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1j3z h LEU 68 CO -0.01 0.30 0.17 1.23 0.09 0.00 0.00 178.44 180.22 1j3z h GLY 69 N 2.23 0.52 1.04 0.83 0.00 -0.61 0.19 103.07 107.26 1j3z h GLY 69 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1j3z h GLY 69 CO 0.04 0.24 -0.00 0.00 0.00 0.00 0.00 176.54 176.82 1j3z h ALA 70 N 1.02 0.73 -0.36 3.60 0.00 -0.88 -1.25 119.26 122.13 1j3z h ALA 70 Ca 0.12 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1j3z h ALA 70 Cb 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1j3z h ALA 70 CO -0.02 0.56 -0.07 0.35 0.00 0.00 0.00 179.25 180.07 1j3z h PHE 71 N 0.84 -0.16 -0.63 0.00 3.04 -1.09 -1.32 116.94 117.62 1j3z h PHE 71 Ca 0.15 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.18 1j3z h PHE 71 Cb 0.54 0.13 -0.05 0.00 2.56 0.00 0.00 35.95 39.13 1j3z h PHE 71 CO 0.04 -0.14 0.37 1.03 -2.02 0.00 0.00 178.31 177.59 1j3z h SER 72 N 0.02 0.58 -0.80 0.41 0.87 -0.23 -1.03 113.55 113.37 1j3z h SER 72 Ca 0.17 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1j3z h SER 72 Cb 0.26 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1j3z h SER 72 CO -0.35 0.39 0.51 0.44 -0.53 0.00 0.00 176.83 177.28 1j3z h ASP 73 N 0.71 0.93 0.13 6.23 3.32 -0.95 -2.10 116.42 124.69 1j3z h ASP 73 Ca 0.27 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1j3z h ASP 73 Cb 0.10 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1j3z h ASP 73 CO -0.14 0.70 -0.06 1.23 -1.72 0.00 0.00 179.24 179.25 1j3z h GLY 74 N 1.10 0.00 2.00 2.75 0.00 -0.01 -2.12 103.07 106.79 1j3z h GLY 74 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1j3z h GLY 74 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 1j3z n LEU 75 N -3.92 0.66 -0.25 3.11 4.77 -0.79 -1.10 117.00 119.48 1j3z n LEU 75 Ca -0.03 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 1j3z n LEU 75 Cb 0.15 -0.65 0.59 0.00 -2.33 0.00 0.00 43.42 41.18 1j3z n LEU 75 CO 0.30 -0.67 0.90 0.00 -1.33 0.00 0.00 177.39 176.58 1j3z n ALA 76 N -1.78 2.60 -2.58 -1.18 0.00 -0.80 -3.99 120.51 112.78 1j3z n ALA 76 Ca 0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 1j3z n ALA 76 Cb 0.18 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.33 1.81 0.30 0.00 8.25 -0.26 -4.92 115.22 120.07 1j3z n HIS 77 Ca 0.18 -2.46 0.18 0.00 -0.26 0.00 0.00 57.72 55.37 1j3z n HIS 77 Cb 0.21 -0.27 0.96 0.00 1.12 0.00 0.00 29.99 32.01 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 2.63 0.00 0.00 2.41 4.07 -1.69 -1.19 115.31 121.53 1j3z h LEU 78 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1j3z h LEU 78 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1j3z h LEU 78 CO 0.47 0.03 -0.67 0.47 -1.08 0.00 0.00 178.44 177.66 1j3z n ASP 79 N -3.31 0.62 -3.12 -0.43 8.00 -1.26 -4.39 116.55 112.65 1j3z n ASP 79 Ca -0.02 -0.36 -0.17 0.00 0.71 0.00 0.00 54.79 54.95 1j3z n ASP 79 Cb 0.16 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.60 0.35 -0.08 -2.24 5.15 -0.49 -4.94 115.26 111.42 1j3z n ASN 80 Ca 0.05 -3.09 -0.03 0.00 -0.60 0.00 0.00 54.58 50.91 1j3z n ASN 80 Cb 0.35 -0.26 0.20 0.00 -0.53 0.00 0.00 39.78 39.55 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 3.05 0.67 -0.41 1.20 3.38 -1.67 -2.31 115.31 119.23 1j3z h LEU 81 Ca 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1j3z h LEU 81 Cb 0.98 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1j3z h LEU 81 CO 0.45 0.74 0.20 0.11 0.09 0.00 0.00 178.44 180.03 1j3z h LYS 82 N 0.67 0.58 -0.13 1.13 1.57 -1.89 -1.21 116.57 117.29 1j3z h LYS 82 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1j3z h LYS 82 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1j3z h LYS 82 CO 0.01 0.49 0.08 0.78 -0.57 0.00 0.00 179.45 180.24 1j3z h GLY 83 N 0.52 0.18 1.66 3.86 0.00 -1.92 -1.62 103.07 105.75 1j3z h GLY 83 Ca 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1j3z h GLY 83 CO -0.02 0.05 -0.21 -0.84 0.00 0.00 0.00 176.54 175.52 1j3z h THR 84 N 0.16 1.24 -0.03 4.70 2.02 -1.24 -2.97 112.91 116.79 1j3z h THR 84 Ca 0.05 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1j3z h THR 84 Cb -0.01 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1j3z h THR 84 CO -0.02 0.36 -0.04 0.49 0.37 0.00 0.00 175.52 176.68 1j3z n PHE 85 N -4.16 0.00 -0.19 3.16 3.72 -0.47 -4.53 117.46 114.99 1j3z n PHE 85 Ca -0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1j3z n PHE 85 Cb 0.36 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.99 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 4.59 0.57 -0.52 4.37 0.00 -1.12 0.26 119.26 127.41 1j3z h ALA 86 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1j3z h ALA 86 Cb 0.91 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1j3z h ALA 86 CO 0.00 -0.38 0.29 1.15 0.00 0.00 0.00 179.25 180.31 1j3z h THR 87 N 0.13 1.18 -0.08 0.00 2.02 -1.81 -2.28 112.91 112.07 1j3z h THR 87 Ca 0.29 -0.44 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1j3z h THR 87 Cb 0.46 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1j3z h THR 87 CO -0.47 0.19 -0.50 -0.07 0.37 0.00 0.00 175.52 175.03 1j3z h LEU 88 N 0.69 0.22 0.24 2.58 3.38 -1.59 -1.96 115.31 118.87 1j3z h LEU 88 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1j3z h LEU 88 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1j3z h LEU 88 CO -0.03 0.69 -0.11 -1.28 0.09 0.00 0.00 178.44 177.79 1j3z h SER 89 N 0.16 -0.27 -0.91 -0.43 0.87 -0.28 -0.74 113.55 111.95 1j3z h SER 89 Ca 0.01 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1j3z h SER 89 Cb 0.95 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.92 1j3z h SER 89 CO 0.08 -0.15 0.60 -0.08 -0.53 0.00 0.00 176.83 176.74 1j3z h GLU 90 N -0.37 1.09 -0.17 2.24 4.57 -1.31 -1.19 114.58 119.44 1j3z h GLU 90 Ca -0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1j3z h GLU 90 Cb 0.28 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1j3z h GLU 90 CO 0.05 0.72 0.06 1.25 -1.18 0.00 0.00 179.01 179.91 1j3z h LEU 91 N 1.12 0.25 -1.24 1.64 5.85 -1.12 0.73 115.31 122.54 1j3z h LEU 91 Ca 0.37 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1j3z h LEU 91 Cb 0.05 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1j3z h LEU 91 CO -0.12 0.38 -0.33 0.45 -0.34 0.00 0.00 178.44 178.49 1j3z h HIS 92 N 0.10 0.10 0.30 1.25 3.86 -0.85 -0.95 115.15 118.97 1j3z h HIS 92 Ca 0.06 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1j3z h HIS 92 Cb 0.22 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1j3z h HIS 92 CO -0.00 0.41 -0.15 0.00 0.86 0.00 0.00 177.93 179.05 1j3z h ASP 94 N -1.08 0.34 0.06 0.00 1.82 -0.84 -3.09 116.42 113.62 1j3z h ASP 94 Ca -0.04 -0.56 -0.38 0.00 -0.39 0.00 0.00 57.03 55.66 1j3z h ASP 94 Cb 0.37 -0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 1j3z h ASP 94 CO 0.07 1.48 -2.26 0.29 -1.61 0.00 0.00 179.24 177.21 1j3z n LYS 95 N -3.40 0.70 0.00 0.28 4.76 -0.44 -4.61 118.16 115.45 1j3z n LYS 95 Ca -0.20 0.20 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1j3z n LYS 95 Cb 1.05 -1.61 -0.12 0.00 -1.84 0.00 0.00 35.03 32.51 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 -3.37 0.39 -3.88 -0.35 4.77 -0.72 -5.00 117.00 108.84 1j3z n LEU 96 Ca -0.40 -0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.20 1j3z n LEU 96 Cb 1.01 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 42.10 1j3z n LEU 96 CO 0.33 0.07 -0.07 1.41 -1.33 0.00 0.00 177.39 177.80 1j3z n HIS 97 N -2.03 -1.91 -3.30 -1.77 8.25 -0.43 -4.94 115.22 109.09 1j3z n HIS 97 Ca -0.01 0.82 -0.42 0.00 -0.26 0.00 0.00 57.72 57.86 1j3z n HIS 97 Cb 0.49 -3.94 -0.08 0.00 1.12 0.00 0.00 29.99 27.57 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 -3.63 5.07 0.01 1.59 1.01 -0.35 -5.03 120.40 119.06 1j3z s VAL 98 Ca 0.24 0.09 -0.36 0.00 0.00 0.00 0.00 61.98 61.95 1j3z s VAL 98 Cb -0.12 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 1j3z s VAL 98 CO 0.85 -0.25 1.62 -0.67 0.00 0.00 0.00 175.10 176.65 1j3z n ASP 99 N 5.63 2.70 0.21 3.32 -0.08 -1.26 -4.71 116.55 122.36 1j3z n ASP 99 Ca -0.06 1.06 0.14 0.00 -1.51 0.00 0.00 54.79 54.42 1j3z n ASP 99 Cb 0.49 -1.31 0.76 0.00 2.34 0.00 0.00 41.12 43.39 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 6.57 0.00 -0.33 -0.67 0.11 -1.96 -1.01 132.00 134.71 1j3z h PRO 100 Ca -0.47 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1j3z h PRO 100 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1j3z h PRO 100 CO 0.89 0.00 0.23 1.49 -0.21 0.00 0.00 178.00 180.40 1j3z h GLU 101 N 0.00 0.08 -0.92 1.05 4.57 -1.98 -1.31 114.58 116.08 1j3z h GLU 101 Ca 0.00 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1j3z h GLU 101 Cb 0.03 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 1j3z h GLU 101 CO 0.00 0.06 0.59 -0.91 -1.18 0.00 0.00 179.01 177.57 1j3z h ASN 102 N 0.09 0.90 -0.47 1.04 4.21 -1.54 -1.08 115.58 118.72 1j3z h ASN 102 Ca 0.15 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.64 1j3z h ASN 102 Cb 0.50 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.50 1j3z h ASN 102 CO -0.01 0.56 0.17 -0.26 -1.29 0.00 0.00 177.43 176.60 1j3z h PHE 103 N 1.01 0.79 -0.34 1.19 0.04 -1.42 -0.54 116.94 117.68 1j3z h PHE 103 Ca 0.40 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 61.03 1j3z h PHE 103 Cb 0.25 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1j3z h PHE 103 CO -0.00 0.64 -0.14 0.00 -0.60 0.00 0.00 178.31 178.22 1j3z h ARG 104 N 0.77 0.69 -0.31 1.51 -0.00 -1.30 -1.41 114.38 114.33 1j3z h ARG 104 Ca 0.18 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.98 59.36 1j3z h ARG 104 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.15 1j3z h ARG 104 CO -0.01 0.88 0.15 -0.07 0.00 0.00 0.00 179.97 180.92 1j3z h LEU 105 N 0.47 0.40 -0.88 3.04 3.38 -0.99 -2.52 115.31 118.21 1j3z h LEU 105 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1j3z h LEU 105 Cb 0.66 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1j3z h LEU 105 CO 0.04 0.41 0.56 0.25 0.09 0.00 0.00 178.44 179.79 1j3z h LEU 106 N 0.37 1.02 -0.88 1.67 5.85 -1.03 -1.33 115.31 120.98 1j3z h LEU 106 Ca 0.11 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1j3z h LEU 106 Cb 0.11 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1j3z h LEU 106 CO -0.01 0.75 0.57 1.23 -0.34 0.00 0.00 178.44 180.64 1j3z h GLY 107 N 1.19 1.26 1.59 3.75 0.00 -1.02 0.16 103.07 110.00 1j3z h GLY 107 Ca 0.32 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 1j3z h GLY 107 CO -0.07 0.39 -0.77 3.43 0.00 0.00 0.00 176.54 179.53 1j3z h ASN 108 N 1.12 0.48 -0.71 0.19 2.35 -0.99 -1.82 115.58 116.20 1j3z h ASN 108 Ca 0.34 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1j3z h ASN 108 Cb -0.03 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1j3z h ASN 108 CO -0.10 1.08 0.37 0.58 -1.65 0.00 0.00 177.43 177.71 1j3z h VAL 109 N 0.26 1.22 -0.49 2.81 2.07 -0.89 -1.99 116.25 119.24 1j3z h VAL 109 Ca -0.04 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1j3z h VAL 109 Cb 1.36 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1j3z h VAL 109 CO 0.13 0.25 0.28 0.25 0.02 0.00 0.00 177.57 178.50 1j3z h LEU 110 N 0.98 0.43 -0.57 2.57 5.85 -0.47 0.29 115.31 124.40 1j3z h LEU 110 Ca 0.25 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1j3z h LEU 110 Cb 0.06 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1j3z h LEU 110 CO -0.04 0.30 0.34 0.58 -0.34 0.00 0.00 178.44 179.28 1j3z h VAL 111 N 0.55 1.04 -0.70 1.05 2.07 -1.05 0.33 116.25 119.54 1j3z h VAL 111 Ca 0.20 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1j3z h VAL 111 Cb 0.06 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1j3z h VAL 111 CO -0.11 0.12 0.41 0.00 0.02 0.00 0.00 177.57 178.01 1j3z h VAL 113 N 0.77 1.24 -0.64 0.00 2.07 -0.39 0.23 116.25 119.53 1j3z h VAL 113 Ca 0.31 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1j3z h VAL 113 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1j3z h VAL 113 CO -0.16 0.30 0.34 -0.07 0.02 0.00 0.00 177.57 178.00 1j3z h LEU 114 N 0.74 0.81 -0.64 2.57 3.38 -0.67 -1.08 115.31 120.42 1j3z h LEU 114 Ca 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1j3z h LEU 114 Cb 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1j3z h LEU 114 CO -0.00 0.68 0.37 0.00 0.09 0.00 0.00 178.44 179.58 1j3z h ALA 115 N 1.16 0.81 -0.59 1.53 0.00 -0.88 0.31 119.26 121.61 1j3z h ALA 115 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1j3z h ALA 115 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1j3z h ALA 115 CO -0.03 0.31 0.31 1.25 0.00 0.00 0.00 179.25 181.09 1j3z h HIS 116 N 0.87 0.82 -0.04 0.00 -0.00 -0.66 -0.06 115.15 116.08 1j3z h HIS 116 Ca 0.23 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.49 1j3z h HIS 116 Cb 0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.16 1j3z h HIS 116 CO -0.01 0.61 -0.27 1.25 -0.00 0.00 0.00 177.93 179.51 1j3z h HIS 117 N 0.80 0.34 0.00 5.26 6.17 -1.00 -3.35 115.15 123.37 1j3z h HIS 117 Ca 0.21 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1j3z h HIS 117 Cb 0.07 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 29.95 1j3z h HIS 117 CO -0.01 0.90 -0.60 0.74 0.71 0.00 0.00 177.93 179.67 1j3z h PHE 118 N -0.32 0.00 0.00 5.26 0.04 -0.92 -3.50 116.94 117.50 1j3z h PHE 118 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1j3z h PHE 118 Cb 0.95 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1j3z h PHE 118 CO 0.15 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 1j3z n GLY 119 N 1.23 3.37 0.32 -1.45 0.00 -0.04 -2.24 105.19 106.39 1j3z n GLY 119 Ca 0.02 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.10 1j3z n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j3z h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 -1.06 116.57 118.80 1j3z h LYS 120 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1j3z h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j3z h LYS 120 CO 0.00 0.00 -0.09 1.49 -2.27 0.00 0.00 179.45 178.58 1j3z h GLU 121 N 0.00 0.00 -4.28 1.90 4.81 -1.85 -3.30 114.58 111.87 1j3z h GLU 121 Ca 0.04 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.53 1j3z h GLU 121 Cb 0.27 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.51 1j3z h GLU 121 CO -0.00 0.09 1.90 0.34 -0.73 0.00 0.00 179.01 180.61 1j3z n PHE 122 N -3.53 3.96 -1.49 0.92 7.35 -0.40 -4.95 117.46 119.32 1j3z n PHE 122 Ca -0.02 -3.03 -0.30 0.00 -0.76 0.00 0.00 57.45 53.34 1j3z n PHE 122 Cb 0.22 -2.17 0.10 0.00 0.35 0.00 0.00 39.48 37.97 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 1.52 3.03 0.24 -2.13 -4.23 -1.24 -4.67 115.64 108.16 1j3z s THR 123 Ca 0.43 0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 1j3z s THR 123 Cb 0.05 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 71.06 1j3z s THR 123 CO 0.00 -0.44 1.74 -0.65 -0.54 0.00 0.00 174.62 174.73 1j3z h PRO 124 N -1.15 0.45 -0.43 3.99 0.11 -1.94 0.86 132.00 133.90 1j3z h PRO 124 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1j3z h PRO 124 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1j3z h PRO 124 CO 0.58 0.30 0.08 -1.35 -0.21 0.00 0.00 178.00 177.41 1j3z h PRO 125 N 0.47 0.65 -0.25 1.05 0.11 -1.99 0.24 132.00 132.28 1j3z h PRO 125 Ca 0.40 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 1j3z h PRO 125 Cb 0.57 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1j3z h PRO 125 CO -0.37 0.61 -0.03 0.28 -0.21 0.00 0.00 178.00 178.28 1j3z h VAL 126 N 0.63 1.27 -0.43 3.15 2.07 -1.68 -1.72 116.25 119.54 1j3z h VAL 126 Ca 0.14 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1j3z h VAL 126 Cb 0.27 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1j3z h VAL 126 CO 0.00 0.31 0.06 -0.61 0.02 0.00 0.00 177.57 177.35 1j3z h GLN 127 N 0.21 0.17 -0.93 1.57 4.15 -0.68 -1.27 115.11 118.34 1j3z h GLN 127 Ca 0.07 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1j3z h GLN 127 Cb 0.47 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 1j3z h GLN 127 CO 0.02 0.11 0.60 0.00 -1.93 0.00 0.00 178.83 177.64 1j3z h ALA 128 N 1.35 1.21 -0.47 3.38 0.00 -0.67 0.16 119.26 124.23 1j3z h ALA 128 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1j3z h ALA 128 Cb 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j3z h ALA 128 CO -0.31 0.49 0.15 0.00 0.00 0.00 0.00 179.25 179.58 1j3z h ALA 129 N 1.37 0.61 -0.26 0.00 0.00 -0.92 -2.59 119.26 117.47 1j3z h ALA 129 Ca 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1j3z h ALA 129 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1j3z h ALA 129 CO -0.11 0.26 -0.04 1.88 0.00 0.00 0.00 179.25 181.25 1j3z h TYR 130 N 0.62 0.42 -0.60 0.00 0.05 -0.32 -2.03 116.97 115.11 1j3z h TYR 130 Ca 0.15 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 1j3z h TYR 130 Cb 0.26 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1j3z h TYR 130 CO 0.01 0.45 0.12 1.96 -1.05 0.00 0.00 178.16 179.65 1j3z h GLN 131 N 0.39 0.96 -0.46 4.88 1.08 -0.48 0.74 115.11 122.23 1j3z h GLN 131 Ca 0.08 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 1j3z h GLN 131 Cb 0.32 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1j3z h GLN 131 CO 0.01 0.87 0.18 0.87 -0.95 0.00 0.00 178.83 179.81 1j3z h LYS 132 N 0.91 0.68 0.18 1.46 1.57 -1.07 -1.33 116.57 118.97 1j3z h LYS 132 Ca 0.19 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1j3z h LYS 132 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1j3z h LYS 132 CO 0.00 0.62 -0.08 0.28 -0.57 0.00 0.00 179.45 179.70 1j3z h VAL 133 N 0.60 0.85 -0.42 0.50 2.07 -0.96 -0.77 116.25 118.12 1j3z h VAL 133 Ca 0.15 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1j3z h VAL 133 Cb 0.20 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1j3z h VAL 133 CO -0.01 0.02 -0.08 0.58 0.02 0.00 0.00 177.57 178.10 1j3z h VAL 134 N -0.28 1.25 -0.54 2.57 2.07 -0.80 0.96 116.25 121.48 1j3z h VAL 134 Ca -0.02 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1j3z h VAL 134 Cb 0.22 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1j3z h VAL 134 CO 0.04 0.37 0.32 0.00 0.02 0.00 0.00 177.57 178.32 1j3z h ALA 135 N 1.24 0.69 -0.71 1.67 0.00 -1.18 -0.91 119.26 120.05 1j3z h ALA 135 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1j3z h ALA 135 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1j3z h ALA 135 CO 0.03 0.18 0.33 0.78 0.00 0.00 0.00 179.25 180.57 1j3z h GLY 136 N 0.72 1.11 0.83 0.00 0.00 -0.36 -0.28 103.07 105.08 1j3z h GLY 136 Ca 0.19 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1j3z h GLY 136 CO -0.03 0.53 -0.10 -2.08 0.00 0.00 0.00 176.54 174.85 1j3z h VAL 137 N 1.00 1.30 -0.74 4.60 2.07 -0.70 -0.34 116.25 123.44 1j3z h VAL 137 Ca 0.24 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1j3z h VAL 137 Cb 0.14 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1j3z h VAL 137 CO -0.03 0.36 0.48 0.00 0.02 0.00 0.00 177.57 178.40 1j3z h ALA 138 N 0.71 0.95 -0.62 1.67 0.00 -1.05 0.02 119.26 120.94 1j3z h ALA 138 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1j3z h ALA 138 Cb 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1j3z h ALA 138 CO 0.03 0.30 0.13 -0.91 0.00 0.00 0.00 179.25 178.81 1j3z h ASN 139 N 0.95 0.94 -0.41 0.00 2.35 -0.94 -0.32 115.58 118.15 1j3z h ASN 139 Ca 0.28 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1j3z h ASN 139 Cb -0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1j3z h ASN 139 CO -0.08 0.92 -0.34 0.00 -1.65 0.00 0.00 177.43 176.28 1j3z h ALA 140 N 1.20 0.61 0.00 -0.83 0.00 -0.54 -1.13 119.26 118.57 1j3z h ALA 140 Ca 0.20 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1j3z h ALA 140 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1j3z h ALA 140 CO 0.00 0.68 -0.23 -0.07 0.00 0.00 0.00 179.25 179.63 1j3z h LEU 141 N 0.79 0.00 0.00 0.00 3.38 -0.78 -2.87 115.31 115.83 1j3z h LEU 141 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j3z h LEU 141 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1j3z h LEU 141 CO 0.09 0.23 -0.51 0.00 0.09 0.00 0.00 178.44 178.34 1j3z h ALA 142 N 1.77 0.70 -0.31 1.53 0.00 -0.72 -3.40 119.26 118.83 1j3z h ALA 142 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1j3z h ALA 142 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1j3z h ALA 142 CO 0.03 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.52 1j3z h HIS 143 N 0.00 0.50 -0.34 0.00 6.17 -0.97 -2.39 115.15 118.12 1j3z h HIS 143 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1j3z h HIS 143 Cb 0.84 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.63 1j3z h HIS 143 CO 0.00 0.50 0.00 1.63 0.71 0.00 0.00 177.93 180.77 1j3z n LYS 144 N -4.29 2.03 -1.93 5.26 4.76 -1.26 -4.96 118.16 117.77 1j3z n LYS 144 Ca 0.01 -1.58 -0.39 0.00 -2.87 0.00 0.00 58.31 53.48 1j3z n LYS 144 Cb 0.24 -1.40 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 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 -1.55 2.63 0.00 2.13 1.51 -0.90 -4.75 117.35 116.42 1j3z s TYR 145 Ca 0.33 1.34 0.00 0.00 -1.01 0.00 0.00 57.07 57.73 1j3z s TYR 145 Cb 0.18 -3.78 0.00 0.00 -0.11 0.00 0.00 41.96 38.25 1j3z s TYR 145 CO 0.25 -2.50 0.00 -2.39 -1.11 0.00 0.00 175.55 169.80