#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3z s LEU 2 N 0.00 4.13 0.74 7.52 1.43 -1.26 -5.04 118.68 126.19 1j3z s LEU 2 Ca 0.00 1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1j3z s LEU 2 Cb 0.00 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1j3z s LEU 2 CO 0.00 -0.62 1.08 -0.94 0.23 0.00 0.00 176.35 176.09 1j3z s SER 3 N 1.19 5.05 0.26 2.29 1.04 -1.26 -4.88 113.70 117.39 1j3z s SER 3 Ca 0.45 1.44 -0.02 0.00 0.48 0.00 0.00 55.95 58.30 1j3z s SER 3 Cb -0.16 -2.26 0.49 0.00 0.10 0.00 0.00 66.02 64.19 1j3z s SER 3 CO 0.09 -1.63 1.77 -0.65 0.98 0.00 0.00 173.24 173.79 1j3z h PRO 4 N -0.85 0.61 -0.77 4.02 0.11 -1.99 -1.43 132.00 131.70 1j3z h PRO 4 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1j3z h PRO 4 Cb 1.24 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1j3z h PRO 4 CO 0.59 0.40 0.50 0.00 -0.21 0.00 0.00 178.00 179.28 1j3z h ALA 5 N 1.53 1.44 -0.57 -0.75 0.00 -1.99 -0.84 119.26 118.08 1j3z h ALA 5 Ca 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1j3z h ALA 5 Cb 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1j3z h ALA 5 CO -0.34 0.51 0.27 -0.44 0.00 0.00 0.00 179.25 179.26 1j3z h ASP 6 N 1.04 0.74 -0.50 0.00 3.32 -1.66 0.27 116.42 119.64 1j3z h ASP 6 Ca 0.28 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1j3z h ASP 6 Cb -0.11 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1j3z h ASP 6 CO -0.06 0.67 -0.07 0.11 -1.72 0.00 0.00 179.24 178.17 1j3z h LYS 7 N 0.77 0.94 -0.70 3.56 1.57 -0.63 -0.28 116.57 121.79 1j3z h LYS 7 Ca 0.19 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1j3z h LYS 7 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1j3z h LYS 7 CO -0.02 0.99 0.38 1.15 -0.57 0.00 0.00 179.45 181.38 1j3z h THR 8 N 0.80 1.22 -0.58 -0.16 2.02 -1.01 -0.73 112.91 114.46 1j3z h THR 8 Ca 0.13 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1j3z h THR 8 Cb 0.62 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1j3z h THR 8 CO 0.04 0.24 0.20 0.78 0.37 0.00 0.00 175.52 177.14 1j3z h ASN 9 N 0.96 0.84 -0.29 4.18 2.35 -0.55 -0.91 115.58 122.15 1j3z h ASN 9 Ca 0.24 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1j3z h ASN 9 Cb 0.04 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1j3z h ASN 9 CO -0.04 0.81 -0.07 0.58 -1.65 0.00 0.00 177.43 177.06 1j3z h VAL 10 N 0.82 1.28 -0.79 2.81 2.07 -0.88 -1.55 116.25 120.01 1j3z h VAL 10 Ca 0.19 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1j3z h VAL 10 Cb 0.26 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1j3z h VAL 10 CO -0.01 0.35 0.40 0.11 0.02 0.00 0.00 177.57 178.44 1j3z h LYS 11 N 0.32 1.12 -0.12 1.57 1.57 -1.00 0.66 116.57 120.69 1j3z h LYS 11 Ca 0.07 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1j3z h LYS 11 Cb 0.56 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1j3z h LYS 11 CO 0.03 0.85 -0.01 0.00 -0.57 0.00 0.00 179.45 179.76 1j3z h ALA 12 N 1.31 0.16 -0.32 3.86 0.00 -1.02 0.02 119.26 123.27 1j3z h ALA 12 Ca 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1j3z h ALA 12 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1j3z h ALA 12 CO -0.04 -0.13 0.03 0.00 0.00 0.00 0.00 179.25 179.11 1j3z h ALA 13 N 0.74 0.43 0.00 0.00 0.00 -1.05 -1.24 119.26 118.13 1j3z h ALA 13 Ca 0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1j3z h ALA 13 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1j3z h ALA 13 CO 0.01 0.15 -0.49 2.35 0.00 0.00 0.00 179.25 181.26 1j3z h TRP 14 N 0.36 0.00 -0.67 0.00 2.91 -0.88 -1.87 115.95 115.80 1j3z h TRP 14 Ca 0.10 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.04 1j3z h TRP 14 Cb 0.38 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 1j3z h TRP 14 CO 0.03 0.49 0.14 0.78 -1.03 0.00 0.00 178.44 178.85 1j3z h GLY 15 N 1.51 1.17 1.87 2.65 0.00 -0.73 -2.12 103.07 107.41 1j3z h GLY 15 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1j3z h GLY 15 CO 0.06 0.70 -0.28 0.50 0.00 0.00 0.00 176.54 177.52 1j3z h LYS 16 N 1.01 0.16 -0.51 4.80 1.79 -0.82 -2.32 116.57 120.68 1j3z h LYS 16 Ca 0.21 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1j3z h LYS 16 Cb 0.40 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 1j3z h LYS 16 CO 0.01 0.43 0.32 0.28 -1.08 0.00 0.00 179.45 179.41 1j3z h VAL 17 N 0.14 1.10 0.00 0.50 2.07 -0.97 -3.45 116.25 115.64 1j3z h VAL 17 Ca 0.02 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1j3z h VAL 17 Cb 0.58 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1j3z h VAL 17 CO 0.04 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.36 1j3z n GLY 18 N -1.24 2.72 0.27 2.17 0.00 -0.83 -1.04 105.19 107.24 1j3z n GLY 18 Ca 0.03 0.29 0.18 0.00 0.00 0.00 0.00 46.02 46.52 1j3z n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3z h ALA 19 N -0.27 1.00 -0.01 4.61 0.00 -1.87 -2.72 119.26 119.99 1j3z h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3z h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j3z h ALA 19 CO 0.00 0.00 -0.04 0.72 0.00 0.00 0.00 179.25 179.93 1j3z n HIS 20 N -2.87 0.00 -0.17 0.00 8.25 -0.20 -4.40 115.22 115.82 1j3z n HIS 20 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1j3z n HIS 20 Cb 0.17 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1j3z n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3z h ALA 21 N 4.07 -0.15 -0.44 -1.41 0.00 -1.58 0.77 119.26 120.52 1j3z h ALA 21 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1j3z h ALA 21 Cb 0.33 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1j3z h ALA 21 CO 0.00 -0.72 0.18 0.78 0.00 0.00 0.00 179.25 179.48 1j3z h GLY 22 N -0.21 0.59 0.97 0.00 0.00 -1.84 0.91 103.07 103.49 1j3z h GLY 22 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1j3z h GLY 22 CO -0.63 0.05 0.52 -2.09 0.00 0.00 0.00 176.54 174.39 1j3z h GLU 23 N 0.36 1.02 -0.10 4.80 4.81 -1.61 -1.90 114.58 121.96 1j3z h GLU 23 Ca 0.20 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1j3z h GLU 23 Cb 0.17 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1j3z h GLU 23 CO -0.18 0.67 -0.53 1.88 -0.73 0.00 0.00 179.01 180.12 1j3z h TYR 24 N 1.05 0.34 -0.44 0.92 -1.99 -0.25 -1.44 116.97 115.17 1j3z h TYR 24 Ca 0.30 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.89 1j3z h TYR 24 Cb -0.09 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 1j3z h TYR 24 CO -0.02 0.74 0.20 0.78 -0.00 0.00 0.00 178.16 179.86 1j3z h GLY 25 N 1.35 0.69 1.04 3.88 0.00 -0.34 0.70 103.07 110.39 1j3z h GLY 25 Ca 0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1j3z h GLY 25 CO 0.08 0.33 0.06 0.00 0.00 0.00 0.00 176.54 177.01 1j3z h ALA 26 N 1.05 0.78 -0.45 3.60 0.00 -1.24 -1.45 119.26 121.55 1j3z h ALA 26 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1j3z h ALA 26 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1j3z h ALA 26 CO -0.02 0.57 0.27 1.49 0.00 0.00 0.00 179.25 181.56 1j3z h GLU 27 N 0.89 0.62 -0.97 0.00 4.81 -1.06 -1.50 114.58 117.37 1j3z h GLU 27 Ca 0.17 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1j3z h GLU 27 Cb 0.47 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1j3z h GLU 27 CO 0.02 0.46 0.63 0.00 -0.73 0.00 0.00 179.01 179.39 1j3z h ALA 28 N 1.12 1.27 -0.21 2.92 0.00 -0.62 0.42 119.26 124.16 1j3z h ALA 28 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j3z h ALA 28 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1j3z h ALA 28 CO -0.03 0.53 0.09 -0.07 0.00 0.00 0.00 179.25 179.77 1j3z h LEU 29 N 1.23 0.28 -0.65 0.00 3.38 -0.93 -1.09 115.31 117.53 1j3z h LEU 29 Ca 0.38 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1j3z h LEU 29 Cb -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1j3z h LEU 29 CO -0.12 0.36 0.43 -0.08 0.09 0.00 0.00 178.44 179.12 1j3z h GLU 30 N 0.19 0.85 -0.89 1.13 4.81 -0.96 -0.25 114.58 119.47 1j3z h GLU 30 Ca 0.07 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1j3z h GLU 30 Cb 0.16 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 1j3z h GLU 30 CO -0.01 0.56 0.54 0.00 -0.73 0.00 0.00 179.01 179.38 1j3z h ARG 31 N 0.88 0.91 -0.19 1.92 3.08 -0.72 -1.20 114.38 119.06 1j3z h ARG 31 Ca 0.24 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1j3z h ARG 31 Cb -0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 1j3z h ARG 31 CO -0.06 0.60 0.06 1.98 -1.07 0.00 0.00 179.97 181.49 1j3z h MET 32 N 0.94 0.29 -0.63 0.04 4.05 -0.31 0.11 114.93 119.43 1j3z h MET 32 Ca 0.41 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.72 1j3z h MET 32 Cb 0.28 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1j3z h MET 32 CO -0.21 0.40 0.23 0.74 0.23 0.00 0.00 176.91 178.29 1j3z h PHE 33 N 0.13 0.94 0.14 1.39 0.04 -0.59 0.20 116.94 119.18 1j3z h PHE 33 Ca 0.06 -0.07 -0.30 0.00 2.80 0.00 0.00 57.97 60.46 1j3z h PHE 33 Cb 0.23 -0.28 0.03 0.00 2.20 0.00 0.00 35.95 38.12 1j3z h PHE 33 CO 0.00 0.74 -1.28 -0.07 -0.60 0.00 0.00 178.31 177.10 1j3z h LEU 34 N 0.91 0.86 0.02 1.54 3.38 -1.16 -3.30 115.31 117.56 1j3z h LEU 34 Ca 0.21 -0.81 -0.24 0.00 0.09 0.00 0.00 57.88 57.13 1j3z h LEU 34 Cb 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1j3z h LEU 34 CO -0.01 1.62 -1.19 0.28 0.09 0.00 0.00 178.44 179.23 1j3z h SER 35 N 0.26 0.05 -2.47 -0.43 0.02 -0.87 -3.40 113.55 106.72 1j3z h SER 35 Ca -0.20 -0.06 -0.59 0.00 -0.84 0.00 0.00 61.79 60.10 1j3z h SER 35 Cb 1.95 -0.02 -0.40 0.00 0.14 0.00 0.00 62.40 64.07 1j3z h SER 35 CO 0.24 1.05 -0.82 0.49 -1.14 0.00 0.00 176.83 176.65 1j3z n PHE 36 N -3.31 1.16 0.31 3.45 3.72 0.05 -4.99 117.46 117.84 1j3z n PHE 36 Ca -0.05 -3.79 0.18 0.00 -0.05 0.00 0.00 57.45 53.75 1j3z n PHE 36 Cb 0.97 -0.25 1.03 0.00 -0.94 0.00 0.00 39.48 40.29 1j3z n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1j3z h PRO 37 N 4.99 0.00 0.00 -1.08 0.13 -1.75 -0.93 132.00 133.35 1j3z h PRO 37 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1j3z h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1j3z h PRO 37 CO 0.57 0.00 -0.00 1.79 -0.23 0.00 0.00 178.00 180.13 1j3z h THR 38 N 0.00 0.53 0.00 1.56 1.35 -1.91 -1.46 112.91 112.97 1j3z h THR 38 Ca 0.01 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1j3z h THR 38 Cb 0.08 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1j3z h THR 38 CO -0.00 0.00 -0.06 0.71 -0.25 0.00 0.00 175.52 175.92 1j3z h THR 39 N 0.00 0.20 0.00 6.82 1.35 -1.48 -2.27 112.91 117.53 1j3z h THR 39 Ca -0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1j3z h THR 39 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1j3z h THR 39 CO 0.00 0.06 0.00 0.11 -0.25 0.00 0.00 175.52 175.44 1j3z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.44 -2.63 116.57 118.79 1j3z h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3z h LYS 40 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1j3z h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1j3z h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.57 -1.65 112.91 110.87 1j3z h THR 41 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1j3z h THR 41 Cb 0.31 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1j3z h THR 41 CO 0.00 0.00 -0.37 -1.22 -0.25 0.00 0.00 175.52 173.68 1j3z n TYR 42 N -2.93 0.00 -2.37 4.73 4.01 -0.99 -4.37 117.16 115.24 1j3z n TYR 42 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1j3z n TYR 42 Cb 0.10 -0.23 0.03 0.00 -0.31 0.00 0.00 39.34 38.93 1j3z n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j3z n PHE 43 N -1.23 2.28 0.30 -0.72 3.01 -0.62 -4.81 117.46 115.67 1j3z n PHE 43 Ca 0.08 -2.35 0.18 0.00 1.01 0.00 0.00 57.45 56.37 1j3z n PHE 43 Cb 0.33 -0.28 0.80 0.00 -0.01 0.00 0.00 39.48 40.32 1j3z n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1j3z h PRO 44 N 2.42 0.00 -0.00 -1.08 0.13 -1.76 -1.68 132.00 130.03 1j3z h PRO 44 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1j3z h PRO 44 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3z h PRO 44 CO 0.58 0.00 -0.07 -2.39 -0.23 0.00 0.00 178.00 175.89 1j3z n HIS 45 N -3.02 0.00 -3.96 1.56 1.44 -1.26 -4.83 115.22 105.15 1j3z n HIS 45 Ca -0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1j3z n HIS 45 Cb 0.24 -0.14 -0.05 0.00 0.12 0.00 0.00 29.99 30.16 1j3z n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j3z s PHE 46 N -2.35 3.44 -0.31 -1.40 0.40 -0.63 -5.07 117.98 112.07 1j3z s PHE 46 Ca 0.33 0.24 -0.29 0.00 -0.60 0.00 0.00 56.93 56.61 1j3z s PHE 46 Cb 0.20 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 42.00 1j3z s PHE 46 CO 0.44 0.59 1.07 0.34 0.70 0.00 0.00 175.22 178.36 1j3z s ASP 47 N -2.24 6.95 -0.00 1.36 2.15 -1.26 -4.93 116.67 118.69 1j3z s ASP 47 Ca 0.30 1.09 0.17 0.00 0.43 0.00 0.00 52.55 54.55 1j3z s ASP 47 Cb -0.13 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.45 1j3z s ASP 47 CO 0.23 -0.85 1.42 0.18 -0.17 0.00 0.00 175.17 175.98 1j3z n LEU 48 N 6.78 3.04 -4.57 -1.34 4.77 -1.26 -4.60 117.00 119.82 1j3z n LEU 48 Ca 0.12 -1.52 -0.40 0.00 -0.03 0.00 0.00 56.01 54.17 1j3z n LEU 48 Cb 0.47 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1j3z n LEU 48 CO 0.58 0.75 0.44 -1.54 -1.33 0.00 0.00 177.39 176.29 1j3z n SER 49 N 1.14 0.56 -4.68 -1.43 3.41 -1.26 -4.87 113.62 106.50 1j3z n SER 49 Ca 0.19 0.93 -0.45 0.00 -0.26 0.00 0.00 58.87 59.28 1j3z n SER 49 Cb 0.48 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 1j3z n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1j3z n HIS 50 N -0.94 2.30 -0.85 7.33 -0.00 -1.26 -1.49 115.22 120.32 1j3z n HIS 50 Ca 0.11 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.60 1j3z n HIS 50 Cb 0.42 -2.53 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 1j3z n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3z n GLY 51 N 2.94 0.68 3.63 1.57 0.00 -1.26 -5.00 105.19 107.74 1j3z n GLY 51 Ca 0.15 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.64 1j3z n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3z n SER 52 N 0.00 2.02 -0.13 1.61 2.88 -0.56 -4.87 113.62 114.57 1j3z n SER 52 Ca 0.00 1.10 0.05 0.00 -1.33 0.00 0.00 58.87 58.69 1j3z n SER 52 Cb 0.00 -1.21 0.36 0.00 -0.75 0.00 0.00 64.21 62.61 1j3z n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3z h ALA 53 N 5.40 1.68 -0.31 -1.46 0.00 -1.90 -0.56 119.26 122.10 1j3z h ALA 53 Ca -0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1j3z h ALA 53 Cb 1.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1j3z h ALA 53 CO 0.83 0.24 0.03 1.96 0.00 0.00 0.00 179.25 182.32 1j3z h GLN 54 N 0.73 0.53 -0.63 0.00 4.20 -1.90 0.25 115.11 118.29 1j3z h GLN 54 Ca 0.26 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1j3z h GLN 54 Cb 0.12 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1j3z h GLN 54 CO -0.07 0.64 0.02 0.28 -0.67 0.00 0.00 178.83 179.03 1j3z h VAL 55 N 0.34 1.27 -0.40 -0.54 2.07 -1.75 0.01 116.25 117.25 1j3z h VAL 55 Ca 0.09 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1j3z h VAL 55 Cb 0.38 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1j3z h VAL 55 CO 0.01 0.42 0.22 0.11 0.02 0.00 0.00 177.57 178.34 1j3z h LYS 56 N 1.01 0.57 -0.66 1.57 1.57 -0.95 0.16 116.57 119.84 1j3z h LYS 56 Ca 0.18 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1j3z h LYS 56 Cb 0.54 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1j3z h LYS 56 CO 0.03 0.47 0.36 0.78 -0.57 0.00 0.00 179.45 180.51 1j3z h GLY 57 N 0.52 0.99 1.31 3.86 0.00 -0.80 -2.15 103.07 106.79 1j3z h GLY 57 Ca 0.14 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1j3z h GLY 57 CO -0.02 0.43 -0.51 0.84 0.00 0.00 0.00 176.54 177.28 1j3z h HIS 58 N 0.90 0.91 -0.93 5.60 -0.00 -0.76 -2.76 115.15 118.11 1j3z h HIS 58 Ca 0.23 -0.31 0.07 0.00 -0.00 0.00 0.00 60.37 60.36 1j3z h HIS 58 Cb 0.05 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 27.22 1j3z h HIS 58 CO -0.01 1.09 0.60 0.78 -0.00 0.00 0.00 177.93 180.40 1j3z h GLY 59 N 0.88 1.37 1.00 5.26 0.00 -0.48 -0.29 103.07 110.82 1j3z h GLY 59 Ca 0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1j3z h GLY 59 CO 0.11 0.30 0.22 1.70 0.00 0.00 0.00 176.54 178.88 1j3z h LYS 60 N 1.06 0.92 -0.55 4.80 1.63 -1.17 -0.92 116.57 122.34 1j3z h LYS 60 Ca 0.40 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.99 1j3z h LYS 60 Cb 0.20 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1j3z h LYS 60 CO -0.15 0.79 0.20 0.87 -3.45 0.00 0.00 179.45 177.70 1j3z h LYS 61 N 0.85 0.83 -0.10 1.90 1.57 -1.03 -0.13 116.57 120.46 1j3z h LYS 61 Ca 0.20 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1j3z h LYS 61 Cb 0.23 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1j3z h LYS 61 CO -0.01 0.74 0.05 0.28 -0.57 0.00 0.00 179.45 179.94 1j3z h VAL 62 N 0.75 1.12 -0.49 0.50 2.07 -0.96 -1.27 116.25 117.96 1j3z h VAL 62 Ca 0.18 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1j3z h VAL 62 Cb 0.24 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1j3z h VAL 62 CO -0.01 0.11 0.28 0.00 0.02 0.00 0.00 177.57 177.97 1j3z h ALA 63 N 0.91 0.63 -0.41 1.67 0.00 -1.03 -1.25 119.26 119.79 1j3z h ALA 63 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1j3z h ALA 63 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1j3z h ALA 63 CO -0.00 -0.04 0.10 -0.44 0.00 0.00 0.00 179.25 178.87 1j3z h ASP 64 N 0.56 0.55 -0.68 0.00 3.32 -0.84 0.90 116.42 120.23 1j3z h ASP 64 Ca 0.20 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1j3z h ASP 64 Cb 0.05 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1j3z h ASP 64 CO -0.11 0.56 0.13 0.00 -1.72 0.00 0.00 179.24 178.09 1j3z h ALA 65 N 1.52 0.90 -0.49 3.45 0.00 -0.71 -0.87 119.26 123.06 1j3z h ALA 65 Ca 0.14 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1j3z h ALA 65 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1j3z h ALA 65 CO -0.00 0.65 -0.16 -0.07 0.00 0.00 0.00 179.25 179.67 1j3z h LEU 66 N 1.04 1.00 -0.76 0.00 3.38 -0.37 -1.02 115.31 118.57 1j3z h LEU 66 Ca 0.21 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1j3z h LEU 66 Cb 0.42 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1j3z h LEU 66 CO 0.01 1.15 0.47 0.74 0.09 0.00 0.00 178.44 180.90 1j3z h THR 67 N 0.84 1.09 -0.63 0.22 2.02 -0.66 0.06 112.91 115.85 1j3z h THR 67 Ca 0.12 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1j3z h THR 67 Cb 0.73 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1j3z h THR 67 CO 0.06 0.17 0.30 -1.13 0.37 0.00 0.00 175.52 175.28 1j3z h ASN 68 N 0.92 0.83 -0.83 4.18 -1.24 -0.96 -1.61 115.58 116.88 1j3z h ASN 68 Ca 0.31 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 1j3z h ASN 68 Cb 0.04 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 38.84 1j3z h ASN 68 CO -0.12 0.74 0.42 0.00 -1.29 0.00 0.00 177.43 177.17 1j3z h ALA 69 N 1.13 1.17 -0.43 1.57 0.00 -0.45 -1.30 119.26 120.96 1j3z h ALA 69 Ca 0.22 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1j3z h ALA 69 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1j3z h ALA 69 CO -0.03 0.64 0.00 0.28 0.00 0.00 0.00 179.25 180.15 1j3z h VAL 70 N 1.18 1.26 0.00 0.00 2.07 -0.74 -0.19 116.25 119.83 1j3z h VAL 70 Ca 0.29 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1j3z h VAL 70 Cb 0.09 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1j3z h VAL 70 CO -0.04 0.35 -0.13 0.00 0.02 0.00 0.00 177.57 177.77 1j3z h ALA 71 N 0.90 1.17 -0.48 1.67 0.00 -0.98 -2.93 119.26 118.61 1j3z h ALA 71 Ca 0.12 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1j3z h ALA 71 Cb 0.49 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 17.98 1j3z h ALA 71 CO 0.02 0.17 -0.71 0.72 0.00 0.00 0.00 179.25 179.45 1j3z n HIS 72 N -3.50 1.75 0.31 0.00 8.25 -0.52 -4.86 115.22 116.65 1j3z n HIS 72 Ca -0.01 -1.96 0.18 0.00 -0.26 0.00 0.00 57.72 55.67 1j3z n HIS 72 Cb 0.29 -0.31 1.02 0.00 1.12 0.00 0.00 29.99 32.11 1j3z n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1j3z h VAL 73 N 1.79 0.31 0.00 1.59 3.04 -0.85 -0.09 116.25 122.05 1j3z h VAL 73 Ca 0.23 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1j3z h VAL 73 Cb 1.35 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1j3z h VAL 73 CO 0.48 0.01 -0.00 0.44 -1.01 0.00 0.00 177.57 177.49 1j3z h ASP 74 N 0.00 0.00 -1.21 3.17 3.32 -1.88 -3.37 116.42 116.46 1j3z h ASP 74 Ca -0.00 -0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 1j3z h ASP 74 Cb 0.03 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.29 1j3z h ASP 74 CO 0.00 0.00 -0.88 -0.67 -1.72 0.00 0.00 179.24 175.97 1j3z n ASP 75 N -2.49 -0.76 -0.02 6.45 -0.08 -0.06 -4.98 116.55 114.61 1j3z n ASP 75 Ca 0.05 -3.10 -0.07 0.00 -1.51 0.00 0.00 54.79 50.16 1j3z n ASP 75 Cb 0.46 0.37 0.11 0.00 2.34 0.00 0.00 41.12 44.39 1j3z n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1j3z h MET 76 N 3.53 0.59 -0.90 -0.67 2.86 -1.69 -2.26 114.93 116.40 1j3z h MET 76 Ca 0.00 -0.28 0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1j3z h MET 76 Cb 0.98 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.55 1j3z h MET 76 CO 0.38 0.87 0.51 -1.35 1.06 0.00 0.00 176.91 178.38 1j3z h PRO 77 N 0.49 0.75 -0.08 -0.22 0.11 -1.94 0.15 132.00 131.27 1j3z h PRO 77 Ca 0.05 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1j3z h PRO 77 Cb 0.86 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1j3z h PRO 77 CO 0.07 0.49 -0.28 -0.91 -0.21 0.00 0.00 178.00 177.16 1j3z h ASN 78 N 0.77 0.38 -0.89 -2.05 4.21 -1.92 -2.49 115.58 113.58 1j3z h ASN 78 Ca 0.47 -0.63 -0.01 0.00 1.21 0.00 0.00 56.30 57.35 1j3z h ASN 78 Cb 0.58 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.62 1j3z h ASN 78 CO -0.31 0.94 0.53 0.00 -1.29 0.00 0.00 177.43 177.30 1j3z h ALA 79 N 0.45 1.27 -0.68 -0.83 0.00 -1.07 -2.72 119.26 115.67 1j3z h ALA 79 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j3z h ALA 79 Cb 0.92 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j3z h ALA 79 CO 0.06 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.22 1j3z n LEU 80 N -4.36 4.59 -0.09 0.00 4.77 0.50 -4.64 117.00 117.76 1j3z n LEU 80 Ca 0.10 -2.31 -0.06 0.00 -0.03 0.00 0.00 56.01 53.71 1j3z n LEU 80 Cb 0.06 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1j3z n LEU 80 CO 0.38 0.86 0.83 -1.28 -1.33 0.00 0.00 177.39 176.85 1j3z h SER 81 N 4.21 -0.22 -0.56 -1.43 0.87 -1.10 0.21 113.55 115.53 1j3z h SER 81 Ca 0.00 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1j3z h SER 81 Cb 1.34 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.45 1j3z h SER 81 CO 0.17 -0.07 0.07 0.00 -0.53 0.00 0.00 176.83 176.47 1j3z h ALA 82 N 1.31 0.75 -0.20 6.23 0.00 -1.83 -0.90 119.26 124.63 1j3z h ALA 82 Ca 0.16 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1j3z h ALA 82 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j3z h ALA 82 CO -0.31 0.52 -0.43 1.25 0.00 0.00 0.00 179.25 180.28 1j3z h LEU 83 N 0.84 0.51 -0.47 0.00 5.85 -1.76 -0.71 115.31 119.56 1j3z h LEU 83 Ca 0.17 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1j3z h LEU 83 Cb 0.45 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1j3z h LEU 83 CO 0.02 0.88 0.21 0.28 -0.34 0.00 0.00 178.44 179.48 1j3z h SER 84 N 0.39 0.64 -0.68 1.25 0.02 -0.41 -1.72 113.55 113.04 1j3z h SER 84 Ca 0.03 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1j3z h SER 84 Cb 0.92 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 1j3z h SER 84 CO 0.08 0.61 0.37 0.44 -1.14 0.00 0.00 176.83 177.19 1j3z h ASP 85 N 0.62 0.54 -0.18 3.07 5.19 -0.84 -1.10 116.42 123.73 1j3z h ASP 85 Ca 0.16 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1j3z h ASP 85 Cb 0.16 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1j3z h ASP 85 CO -0.02 0.35 -0.04 0.25 -3.12 0.00 0.00 179.24 176.67 1j3z h LEU 86 N 0.68 0.35 -0.69 1.55 5.85 -0.82 -0.98 115.31 121.25 1j3z h LEU 86 Ca 0.31 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1j3z h LEU 86 Cb 0.21 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1j3z h LEU 86 CO -0.19 0.62 -0.09 0.45 -0.34 0.00 0.00 178.44 178.89 1j3z h HIS 87 N 0.07 1.01 -0.36 1.25 3.86 -1.23 -0.76 115.15 119.00 1j3z h HIS 87 Ca 0.05 -0.19 -0.15 0.00 -1.16 0.00 0.00 60.37 58.92 1j3z h HIS 87 Cb 0.47 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1j3z h HIS 87 CO 0.05 0.95 -0.36 0.00 0.86 0.00 0.00 177.93 179.43 1j3z h ALA 88 N 1.06 0.69 0.00 2.45 0.00 -1.01 0.28 119.26 122.74 1j3z h ALA 88 Ca 0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1j3z h ALA 88 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j3z h ALA 88 CO 0.04 0.67 -1.26 0.72 0.00 0.00 0.00 179.25 179.42 1j3z n HIS 89 N -4.06 0.00 -0.02 0.00 8.25 -0.39 -4.42 115.22 114.58 1j3z n HIS 89 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1j3z n HIS 89 Cb 0.52 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 1j3z n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1j3z n LYS 90 N -1.92 0.16 -0.14 -0.41 4.81 -0.69 -4.77 118.16 115.20 1j3z n LYS 90 Ca -0.04 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 1j3z n LYS 90 Cb 0.39 -0.73 -0.02 0.00 0.02 0.00 0.00 35.03 34.70 1j3z n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1j3z h LEU 91 N -0.31 0.99 -1.11 3.14 3.38 -1.30 -3.47 115.31 116.63 1j3z h LEU 91 Ca 0.00 -0.43 -0.45 0.00 0.09 0.00 0.00 57.88 57.09 1j3z h LEU 91 Cb 0.31 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1j3z h LEU 91 CO 0.00 1.21 -0.76 0.54 0.09 0.00 0.00 178.44 179.52 1j3z n ARG 92 N -4.11 -5.89 -2.03 1.13 1.74 0.99 -4.93 116.66 103.56 1j3z n ARG 92 Ca -0.01 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 1j3z n ARG 92 Cb 0.50 -5.52 -0.03 0.00 -1.02 0.00 0.00 32.46 26.39 1j3z n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j3z s VAL 93 N -3.37 2.92 0.24 1.55 1.01 -1.24 -4.93 120.40 116.59 1j3z s VAL 93 Ca 0.52 0.64 -0.31 0.00 0.00 0.00 0.00 61.98 62.83 1j3z s VAL 93 Cb -0.26 -3.41 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1j3z s VAL 93 CO 0.81 0.05 1.61 -0.67 0.00 0.00 0.00 175.10 176.89 1j3z n ASP 94 N 4.11 3.65 -0.03 3.32 -0.08 -1.26 -4.84 116.55 121.41 1j3z n ASP 94 Ca 0.13 1.11 0.24 0.00 -1.51 0.00 0.00 54.79 54.76 1j3z n ASP 94 Cb 0.40 -1.54 0.71 0.00 2.34 0.00 0.00 41.12 43.03 1j3z n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j3z h PRO 95 N 5.51 0.00 -0.21 -0.67 0.11 -1.99 -1.80 132.00 132.96 1j3z h PRO 95 Ca -0.45 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1j3z h PRO 95 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1j3z h PRO 95 CO 0.86 0.00 0.23 -0.24 -0.21 0.00 0.00 178.00 178.64 1j3z h VAL 96 N 0.00 0.45 0.00 3.15 3.04 -2.03 -2.69 116.25 118.17 1j3z h VAL 96 Ca 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1j3z h VAL 96 Cb 1.47 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1j3z h VAL 96 CO -0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.57 177.34 1j3z h ASN 97 N 0.00 0.00 -0.06 3.17 4.21 -1.68 -3.28 115.58 117.93 1j3z h ASN 97 Ca 0.10 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.52 1j3z h ASN 97 Cb 0.56 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 1j3z h ASN 97 CO -0.00 0.00 -0.22 -0.26 -1.29 0.00 0.00 177.43 175.66 1j3z h PHE 98 N 0.00 0.52 0.00 1.19 -1.00 -1.67 -1.41 116.94 114.56 1j3z h PHE 98 Ca 0.00 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 1j3z h PHE 98 Cb 0.83 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1j3z h PHE 98 CO 0.00 0.65 -0.19 0.87 -1.61 0.00 0.00 178.31 178.03 1j3z h LYS 99 N 0.42 0.00 -0.01 1.51 1.57 -1.77 -0.76 116.57 117.54 1j3z h LYS 99 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1j3z h LYS 99 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1j3z h LYS 99 CO 0.04 0.19 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.93 1j3z h LEU 100 N 0.00 0.12 -0.82 2.94 3.38 -1.43 -1.19 115.31 118.31 1j3z h LEU 100 Ca -0.00 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 1j3z h LEU 100 Cb 0.43 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1j3z h LEU 100 CO 0.03 0.84 0.46 0.25 0.09 0.00 0.00 178.44 180.11 1j3z h LEU 101 N -0.59 1.02 -0.52 1.67 5.85 -1.42 -1.84 115.31 119.47 1j3z h LEU 101 Ca -0.01 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1j3z h LEU 101 Cb 0.85 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1j3z h LEU 101 CO 0.02 0.81 0.31 0.28 -0.34 0.00 0.00 178.44 179.53 1j3z h SER 102 N 1.14 0.50 -0.79 1.25 0.02 -1.11 0.13 113.55 114.70 1j3z h SER 102 Ca 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1j3z h SER 102 Cb 0.01 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1j3z h SER 102 CO -0.05 0.35 0.43 -0.74 -1.14 0.00 0.00 176.83 175.68 1j3z h HIS 103 N 0.62 1.09 -0.05 3.45 -0.00 -1.00 -1.17 115.15 118.09 1j3z h HIS 103 Ca 0.21 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.42 1j3z h HIS 103 Cb 0.02 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 1j3z h HIS 103 CO -0.06 0.77 -0.56 0.00 -0.00 0.00 0.00 177.93 178.07 1j3z h LEU 105 N 0.11 0.67 -0.41 0.00 3.38 -0.41 -1.43 115.31 117.22 1j3z h LEU 105 Ca -0.00 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1j3z h LEU 105 Cb 1.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1j3z h LEU 105 CO 0.08 0.70 0.25 -0.07 0.09 0.00 0.00 178.44 179.49 1j3z h LEU 106 N 0.60 0.40 -0.95 1.67 3.38 -0.76 -1.08 115.31 118.57 1j3z h LEU 106 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1j3z h LEU 106 Cb 0.27 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1j3z h LEU 106 CO -0.00 0.29 0.56 0.58 0.09 0.00 0.00 178.44 179.96 1j3z h VAL 107 N 0.50 1.26 -0.34 1.22 2.07 -1.03 0.02 116.25 119.96 1j3z h VAL 107 Ca 0.16 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1j3z h VAL 107 Cb 0.00 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 1j3z h VAL 107 CO -0.07 0.28 0.18 0.74 0.02 0.00 0.00 177.57 178.72 1j3z h THR 108 N 1.30 1.14 -0.51 2.57 2.02 -0.88 -1.06 112.91 117.49 1j3z h THR 108 Ca 0.34 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1j3z h THR 108 Cb -0.04 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1j3z h THR 108 CO -0.06 0.14 0.25 -0.07 0.37 0.00 0.00 175.52 176.15 1j3z h LEU 109 N 0.42 0.67 -0.99 2.58 3.38 -0.80 -2.38 115.31 118.19 1j3z h LEU 109 Ca 0.12 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1j3z h LEU 109 Cb 0.06 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1j3z h LEU 109 CO -0.02 0.60 0.64 0.00 0.09 0.00 0.00 178.44 179.76 1j3z h ALA 110 N 1.09 1.36 0.00 1.53 0.00 -0.75 0.13 119.26 122.62 1j3z h ALA 110 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j3z h ALA 110 Cb 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1j3z h ALA 110 CO -0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1j3z h ALA 111 N 1.43 1.00 -0.00 0.00 0.00 -0.70 -3.26 119.26 117.74 1j3z h ALA 111 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1j3z h ALA 111 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1j3z h ALA 111 CO -0.16 0.00 -0.19 0.72 0.00 0.00 0.00 179.25 179.63 1j3z n HIS 112 N -2.55 0.00 -3.08 0.00 -0.00 -0.75 -4.80 115.22 104.03 1j3z n HIS 112 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.50 1j3z n HIS 112 Cb 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.27 1j3z n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1j3z n LEU 113 N -1.01 3.14 -0.15 2.41 4.77 0.38 -4.96 117.00 121.58 1j3z n LEU 113 Ca 0.01 -5.41 -0.02 0.00 -0.03 0.00 0.00 56.01 50.55 1j3z n LEU 113 Cb 0.07 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1j3z n LEU 113 CO 0.08 2.29 0.87 1.55 -1.33 0.00 0.00 177.39 180.85 1j3z h PRO 114 N 3.19 0.15 -0.13 3.23 0.13 -1.84 -0.97 132.00 135.77 1j3z h PRO 114 Ca 0.13 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.06 1j3z h PRO 114 Cb 0.67 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1j3z h PRO 114 CO 0.71 0.10 -0.71 0.00 -0.23 0.00 0.00 178.00 177.88 1j3z h ALA 115 N 1.42 0.53 0.00 -0.56 0.00 -1.95 -3.34 119.26 115.35 1j3z h ALA 115 Ca 0.25 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1j3z h ALA 115 Cb 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1j3z h ALA 115 CO -0.38 0.72 -0.89 0.93 0.00 0.00 0.00 179.25 179.64 1j3z h GLU 116 N 0.40 0.00 -2.84 0.00 3.07 -1.86 -3.39 114.58 109.96 1j3z h GLU 116 Ca -0.03 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.18 1j3z h GLU 116 Cb 1.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 1j3z h GLU 116 CO 0.13 0.53 3.22 0.34 -1.40 0.00 0.00 179.01 181.84 1j3z n PHE 117 N -3.15 2.28 -1.14 4.33 7.35 -0.41 -4.74 117.46 121.98 1j3z n PHE 117 Ca -0.02 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 1j3z n PHE 117 Cb 0.82 -2.28 0.13 0.00 0.35 0.00 0.00 39.48 38.49 1j3z n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j3z s THR 118 N 1.32 2.80 0.26 -2.13 -4.23 -1.26 -4.73 115.64 107.67 1j3z s THR 118 Ca 0.66 0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 61.42 1j3z s THR 118 Cb 0.19 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.60 1j3z s THR 118 CO -0.07 -0.34 1.77 -0.65 -0.54 0.00 0.00 174.62 174.79 1j3z h PRO 119 N -1.49 0.63 -0.59 3.99 0.11 -1.99 0.44 132.00 133.10 1j3z h PRO 119 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1j3z h PRO 119 Cb 1.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1j3z h PRO 119 CO 0.52 0.41 0.12 0.00 -0.21 0.00 0.00 178.00 178.84 1j3z h ALA 120 N 1.55 0.78 -0.46 -0.75 0.00 -1.96 -1.33 119.26 117.09 1j3z h ALA 120 Ca 0.46 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1j3z h ALA 120 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j3z h ALA 120 CO -0.35 0.51 -0.14 0.28 0.00 0.00 0.00 179.25 179.55 1j3z h VAL 121 N 0.87 1.27 -0.45 0.00 2.07 -1.73 -1.61 116.25 116.68 1j3z h VAL 121 Ca 0.18 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.52 1j3z h VAL 121 Cb 0.39 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1j3z h VAL 121 CO 0.01 0.43 -0.01 -0.74 0.02 0.00 0.00 177.57 177.28 1j3z h HIS 122 N 0.74 -0.04 -0.51 1.57 6.17 -0.77 0.98 115.15 123.28 1j3z h HIS 122 Ca 0.11 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 1j3z h HIS 122 Cb 0.69 0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.69 1j3z h HIS 122 CO 0.05 -0.10 0.27 0.00 0.71 0.00 0.00 177.93 178.86 1j3z h ALA 123 N 1.40 0.65 -0.39 5.26 0.00 -1.02 -0.59 119.26 124.57 1j3z h ALA 123 Ca 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1j3z h ALA 123 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1j3z h ALA 123 CO -0.38 0.18 0.07 0.77 0.00 0.00 0.00 179.25 179.90 1j3z h SER 124 N 0.67 0.60 -0.72 0.00 0.02 -0.84 -0.98 113.55 112.30 1j3z h SER 124 Ca 0.18 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1j3z h SER 124 Cb 0.07 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1j3z h SER 124 CO -0.03 0.70 0.36 -0.07 -1.14 0.00 0.00 176.83 176.65 1j3z h LEU 125 N 0.48 0.94 -0.38 5.07 3.38 -0.68 0.42 115.31 124.53 1j3z h LEU 125 Ca 0.12 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1j3z h LEU 125 Cb 0.34 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1j3z h LEU 125 CO 0.01 0.80 0.21 -0.78 0.09 0.00 0.00 178.44 178.76 1j3z h ASP 126 N 1.01 0.33 -0.82 -0.43 3.58 -0.91 -0.26 116.42 118.92 1j3z h ASP 126 Ca 0.25 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 1j3z h ASP 126 Cb 0.10 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 1j3z h ASP 126 CO -0.03 0.24 0.47 0.11 -2.88 0.00 0.00 179.24 177.15 1j3z h LYS 127 N 0.43 1.12 -0.10 0.28 1.57 -0.90 -1.44 116.57 117.52 1j3z h LYS 127 Ca 0.16 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1j3z h LYS 127 Cb 0.03 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1j3z h LYS 127 CO -0.09 0.80 0.05 0.35 -0.57 0.00 0.00 179.45 180.00 1j3z h PHE 128 N 1.13 0.15 -0.20 -1.35 3.57 -0.55 -0.66 116.94 119.01 1j3z h PHE 128 Ca 0.29 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 1j3z h PHE 128 Cb -0.01 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1j3z h PHE 128 CO -0.00 0.19 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.99 1j3z h LEU 129 N 0.06 0.36 -1.05 0.59 3.38 -0.92 -0.05 115.31 117.67 1j3z h LEU 129 Ca 0.04 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1j3z h LEU 129 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1j3z h LEU 129 CO -0.01 0.58 -0.08 0.00 0.09 0.00 0.00 178.44 179.03 1j3z h ALA 130 N 1.45 1.21 -0.18 1.53 0.00 -0.99 -0.66 119.26 121.62 1j3z h ALA 130 Ca 0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1j3z h ALA 130 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j3z h ALA 130 CO 0.04 0.51 -0.45 0.77 0.00 0.00 0.00 179.25 180.12 1j3z h SER 131 N 0.54 0.71 -0.56 0.00 0.02 -0.22 -0.21 113.55 113.85 1j3z h SER 131 Ca 0.10 -0.57 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1j3z h SER 131 Cb 0.47 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1j3z h SER 131 CO 0.03 1.16 0.30 0.58 -1.14 0.00 0.00 176.83 177.76 1j3z h VAL 132 N 0.30 0.98 -0.68 2.27 2.07 -0.92 -1.39 116.25 118.88 1j3z h VAL 132 Ca -0.01 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1j3z h VAL 132 Cb 1.07 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1j3z h VAL 132 CO 0.10 0.11 0.15 0.28 0.02 0.00 0.00 177.57 178.22 1j3z h SER 133 N 0.58 1.04 -0.36 0.57 0.02 -0.90 -0.15 113.55 114.35 1j3z h SER 133 Ca 0.24 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1j3z h SER 133 Cb 0.12 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1j3z h SER 133 CO -0.15 1.01 0.24 0.74 -1.14 0.00 0.00 176.83 177.52 1j3z h THR 134 N 1.04 1.10 -0.56 -2.27 2.02 -0.64 -1.66 112.91 111.94 1j3z h THR 134 Ca 0.21 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1j3z h THR 134 Cb 0.39 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1j3z h THR 134 CO 0.01 0.10 0.25 0.58 0.37 0.00 0.00 175.52 176.82 1j3z h VAL 135 N 0.49 1.21 0.00 3.16 2.07 -0.81 -2.15 116.25 120.22 1j3z h VAL 135 Ca 0.13 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1j3z h VAL 135 Cb -0.04 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1j3z h VAL 135 CO -0.03 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 177.74 1j3z h LEU 136 N 0.77 0.00 -2.18 2.57 3.38 -0.71 -2.43 115.31 116.71 1j3z h LEU 136 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1j3z h LEU 136 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1j3z h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1j3z n THR 137 N -2.44 0.49 0.36 0.22 -2.24 -0.65 -4.54 114.28 105.48 1j3z n THR 137 Ca 0.01 -0.74 0.14 0.00 -2.27 0.00 0.00 64.05 61.19 1j3z n THR 137 Cb 0.22 0.91 0.56 0.00 -2.10 0.00 0.00 70.33 69.91 1j3z n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1j3z h SER 138 N 2.62 0.00 -0.32 3.42 4.64 -0.88 -3.07 113.55 119.96 1j3z h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3z h SER 138 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1j3z h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1j3z n LYS 139 N -2.50 2.89 0.19 4.77 5.02 -1.26 -4.70 118.16 122.58 1j3z n LYS 139 Ca 0.02 -2.21 0.04 0.00 -2.02 0.00 0.00 58.31 54.13 1j3z n LYS 139 Cb 0.25 -1.39 0.38 0.00 -0.02 0.00 0.00 35.03 34.24 1j3z n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1j3z h TYR 140 N 1.93 0.00 0.00 2.13 -1.99 -1.85 -3.46 116.97 113.73 1j3z h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1j3z h TYR 140 Cb 0.88 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1j3z h TYR 140 CO 0.28 0.37 0.00 2.89 -0.00 0.00 0.00 178.16 181.71