#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4j h LEU 2 N 0.00 0.75 -1.37 -4.53 5.85 -1.65 -0.24 115.31 114.13 1u4j h LEU 2 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1u4j h LEU 2 Cb 0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1u4j h LEU 2 CO 0.00 0.40 0.05 0.50 -0.34 0.00 0.00 178.44 179.05 1u4j h LYS 3 N 0.84 0.48 -0.25 1.25 3.11 -1.97 -0.10 116.57 119.91 1u4j h LYS 3 Ca 0.45 -0.08 -0.17 0.00 -2.81 0.00 0.00 60.65 58.04 1u4j h LYS 3 Cb 0.47 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1u4j h LYS 3 CO -0.28 0.46 -0.52 1.96 -2.81 0.00 0.00 179.45 178.26 1u4j h GLN 4 N 0.47 0.80 -0.51 1.90 4.20 -1.51 -2.45 115.11 118.01 1u4j h GLN 4 Ca 0.11 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1u4j h GLN 4 Cb 0.23 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1u4j h GLN 4 CO 0.00 1.15 0.32 0.35 -0.67 0.00 0.00 178.83 179.99 1u4j h PHE 5 N 0.56 0.65 -0.69 2.96 3.57 -0.55 0.83 116.94 124.26 1u4j h PHE 5 Ca 0.01 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1u4j h PHE 5 Cb 1.13 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1u4j h PHE 5 CO 0.08 0.42 0.44 0.87 -2.23 0.00 0.00 178.31 177.89 1u4j h LYS 6 N 0.68 0.86 -0.06 1.11 1.57 -0.98 -0.33 116.57 119.43 1u4j h LYS 6 Ca 0.18 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1u4j h LYS 6 Cb -0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1u4j h LYS 6 CO -0.04 0.57 -0.53 -0.91 -0.57 0.00 0.00 179.45 177.97 1u4j h ASN 7 N 0.88 0.17 -0.51 0.86 4.21 -0.92 -2.64 115.58 117.63 1u4j h ASN 7 Ca 0.27 -0.09 -0.08 0.00 1.21 0.00 0.00 56.30 57.61 1u4j h ASN 7 Cb -0.04 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 1u4j h ASN 7 CO -0.08 0.67 0.04 0.24 -1.29 0.00 0.00 177.43 177.00 1u4j h MET 8 N 0.12 0.93 -0.53 0.81 2.86 -0.24 -0.03 114.93 118.84 1u4j h MET 8 Ca 0.00 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1u4j h MET 8 Cb 0.98 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 1u4j h MET 8 CO 0.08 0.90 0.30 0.82 1.06 0.00 0.00 176.91 180.06 1u4j h ILE 9 N 0.87 1.01 0.00 -1.22 2.04 -0.71 -0.38 117.51 119.11 1u4j h ILE 9 Ca 0.17 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1u4j h ILE 9 Cb 0.46 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1u4j h ILE 9 CO 0.02 0.11 -0.13 0.06 0.00 0.00 0.00 178.15 178.20 1u4j h GLN 10 N 0.58 0.00 0.29 2.37 3.07 -1.37 -2.09 115.11 117.95 1u4j h GLN 10 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.95 1u4j h GLN 10 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 1u4j h GLN 10 CO -0.13 0.00 -0.14 0.00 0.09 0.00 0.00 178.83 178.65 1u4j h ALA 12 N -0.13 0.79 -4.06 0.00 0.00 -1.17 -3.39 119.26 111.30 1u4j h ALA 12 Ca -0.04 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1u4j h ALA 12 Cb 0.49 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1u4j h ALA 12 CO 0.07 0.50 -0.18 0.41 0.00 0.00 0.00 179.25 180.05 1u4j n GLY 13 N 0.93 3.80 0.13 0.00 0.00 -0.79 -4.81 105.19 104.45 1u4j n GLY 13 Ca 0.02 -2.02 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 1u4j n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1u4j n THR 14 N -0.36 1.70 -2.98 2.61 5.66 -1.26 -4.64 114.28 115.02 1u4j n THR 14 Ca -0.03 -0.68 -0.33 0.00 -3.05 0.00 0.00 64.05 59.97 1u4j n THR 14 Cb 0.23 -1.54 -0.06 0.00 -1.55 0.00 0.00 70.33 67.41 1u4j n THR 14 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1u4j s ARG 17 N -2.56 4.07 0.69 1.09 0.52 -1.26 -5.01 118.95 116.50 1u4j s ARG 17 Ca -0.21 0.84 0.03 0.00 -0.52 0.00 0.00 55.73 55.87 1u4j s ARG 17 Cb 0.07 -2.32 0.13 0.00 0.52 0.00 0.00 34.95 33.35 1u4j s ARG 17 CO 0.76 0.06 0.96 0.95 0.02 0.00 0.00 175.30 178.05 1u4j s THR 18 N -2.10 2.04 0.47 0.02 -4.23 -1.26 -4.33 115.64 106.26 1u4j s THR 18 Ca 0.57 -0.74 0.14 0.00 -1.18 0.00 0.00 61.69 60.49 1u4j s THR 18 Cb -0.10 -2.31 0.23 0.00 1.34 0.00 0.00 72.50 71.66 1u4j s THR 18 CO 0.17 0.00 2.07 4.11 -0.54 0.00 0.00 174.62 180.42 1u4j h TRP 19 N -0.36 0.06 0.00 3.99 5.08 -1.91 -2.77 115.95 120.03 1u4j h TRP 19 Ca -0.33 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.63 1u4j h TRP 19 Cb 1.27 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1u4j h TRP 19 CO -0.05 0.12 -0.06 1.79 -1.28 0.00 0.00 178.44 178.97 1u4j h THR 20 N 0.06 0.29 0.00 0.12 1.35 -1.97 -1.82 112.91 110.95 1u4j h THR 20 Ca 0.02 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1u4j h THR 20 Cb 0.14 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1u4j h THR 20 CO 0.01 0.06 0.00 -1.54 -0.25 0.00 0.00 175.52 173.79 1u4j n SER 21 N -3.39 0.00 -0.01 5.36 3.41 -1.04 -2.98 113.62 114.97 1u4j n SER 21 Ca -0.02 0.36 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 1u4j n SER 21 Cb 0.20 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 1u4j n SER 21 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1u4j n TYR 22 N -1.45 0.00 -0.45 7.33 4.01 -0.70 -4.56 117.16 121.34 1u4j n TYR 22 Ca 0.08 0.00 0.37 0.00 -0.16 0.00 0.00 57.90 58.19 1u4j n TYR 22 Cb 0.29 -0.26 0.67 0.00 -0.31 0.00 0.00 39.34 39.74 1u4j n TYR 22 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1u4j h ILE 23 N 0.00 0.21 -1.40 -0.72 2.04 -1.41 -2.85 117.51 113.37 1u4j h ILE 23 Ca 0.00 -0.04 -0.42 0.00 1.00 0.00 0.00 64.86 65.40 1u4j h ILE 23 Cb 0.65 0.09 -0.40 0.00 -0.74 0.00 0.00 36.82 36.42 1u4j h ILE 23 CO 0.00 0.02 -1.15 0.61 0.00 0.00 0.00 178.15 177.63 1u4j n GLY 24 N -1.62 2.64 3.51 5.37 0.00 -1.26 -4.16 105.19 109.67 1u4j n GLY 24 Ca 0.35 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 1u4j n GLY 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1u4j s TYR 25 N -2.95 2.90 0.00 1.61 6.14 -1.08 -2.75 117.35 121.23 1u4j s TYR 25 Ca 0.33 -0.19 0.00 0.00 0.64 0.00 0.00 57.07 57.85 1u4j s TYR 25 Cb 0.41 -1.77 0.00 0.00 0.42 0.00 0.00 41.96 41.02 1u4j s TYR 25 CO -0.02 0.13 0.00 0.41 0.64 0.00 0.00 175.55 176.71 1u4j n GLY 26 N 2.75 0.93 0.07 8.97 0.00 0.92 -2.21 105.19 116.62 1u4j n GLY 26 Ca -0.18 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1u4j n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4j n TYR 28 N -2.32 0.00 -2.62 0.00 4.02 -1.25 -3.37 117.16 111.62 1u4j n TYR 28 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.49 1u4j n TYR 28 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.77 1u4j n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1u4j n GLY 30 N 2.58 -2.23 3.58 0.00 0.00 -1.25 -3.91 105.19 103.96 1u4j n GLY 30 Ca 0.05 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 1u4j n GLY 30 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u4j n TYR 31 N -0.01 0.44 0.00 1.61 9.36 -1.26 -4.85 117.16 122.45 1u4j n TYR 31 Ca 0.00 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1u4j n TYR 31 Cb 0.00 -2.09 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 1u4j n TYR 31 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1u4j n GLY 32 N 1.41 0.30 0.00 2.98 0.00 -1.26 -4.93 105.19 103.68 1u4j n GLY 32 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1u4j n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u4j n GLY 33 N 0.00 3.43 3.72 -0.02 0.00 -1.26 -4.55 105.19 106.51 1u4j n GLY 33 Ca 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 1u4j n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u4j s SER 34 N 0.00 0.09 0.00 1.61 1.04 -1.22 -5.00 113.70 110.22 1u4j s SER 34 Ca 0.00 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1u4j s SER 34 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1u4j s SER 34 CO 0.00 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.41 1u4j n GLY 35 N -0.49 -1.84 3.76 7.32 0.00 -1.22 -4.75 105.19 107.97 1u4j n GLY 35 Ca -0.04 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1u4j n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u4j s THR 36 N 0.00 5.24 0.09 2.61 2.01 -1.26 -5.03 115.64 119.30 1u4j s THR 36 Ca 0.00 0.65 -0.31 0.00 0.31 0.00 0.00 61.69 62.35 1u4j s THR 36 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1u4j s THR 36 CO 0.00 0.43 1.88 -2.84 -0.69 0.00 0.00 174.62 173.40 1u4j s PRO 37 N 0.06 4.14 0.49 4.92 0.02 -1.26 -4.81 135.00 138.55 1u4j s PRO 37 Ca 0.20 2.60 0.19 0.00 0.02 0.00 0.00 61.00 64.01 1u4j s PRO 37 Cb -0.14 -3.81 1.21 0.00 0.02 0.00 0.00 34.50 31.79 1u4j s PRO 37 CO 0.07 -0.89 2.05 -0.39 -0.33 0.00 0.00 177.00 177.52 1u4j h VAL 38 N 5.04 0.93 -2.38 3.83 -1.51 -1.91 -3.45 116.25 116.81 1u4j h VAL 38 Ca -0.47 -0.47 -0.04 0.00 -1.23 0.00 0.00 66.70 64.49 1u4j h VAL 38 Cb 1.22 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1u4j h VAL 38 CO 0.95 0.13 0.03 -0.90 -1.23 0.00 0.00 177.57 176.54 1u4j n ASP 39 N -4.15 -0.51 -0.00 4.19 5.68 -1.26 -5.01 116.55 115.49 1u4j n ASP 39 Ca -0.02 -1.46 -0.09 0.00 -0.50 0.00 0.00 54.79 52.72 1u4j n ASP 39 Cb 0.21 0.87 -0.03 0.00 -1.14 0.00 0.00 41.12 41.03 1u4j n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1u4j h GLU 40 N 0.00 -0.16 -0.37 0.11 4.81 -1.91 0.23 114.58 117.30 1u4j h GLU 40 Ca -0.08 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1u4j h GLU 40 Cb 0.32 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1u4j h GLU 40 CO 0.11 -0.10 0.18 1.25 -0.73 0.00 0.00 179.01 179.71 1u4j h LEU 41 N -0.16 0.26 -1.23 1.64 5.85 -1.92 0.52 115.31 120.29 1u4j h LEU 41 Ca 0.09 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1u4j h LEU 41 Cb 0.30 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1u4j h LEU 41 CO -0.23 0.19 0.46 -0.78 -0.34 0.00 0.00 178.44 177.74 1u4j h ASP 42 N 0.37 0.86 -0.64 1.25 3.58 -1.84 0.65 116.42 120.66 1u4j h ASP 42 Ca 0.15 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 1u4j h ASP 42 Cb 0.07 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 1u4j h ASP 42 CO -0.11 0.65 0.28 -0.09 -2.88 0.00 0.00 179.24 177.09 1u4j h ARG 43 N 1.01 0.98 -0.25 0.28 2.43 0.67 0.51 114.38 120.00 1u4j h ARG 43 Ca 0.27 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1u4j h ARG 43 Cb -0.07 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1u4j h ARG 43 CO -0.05 0.79 0.12 0.00 -1.51 0.00 0.00 179.97 179.32 1u4j h TYR 46 N 0.86 0.10 -0.25 0.00 3.20 -0.55 -1.14 116.97 119.19 1u4j h TYR 46 Ca 0.19 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1u4j h TYR 46 Cb 0.31 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1u4j h TYR 46 CO 0.02 0.08 0.12 1.15 -1.64 0.00 0.00 178.16 177.89 1u4j h THR 47 N 0.09 1.15 -0.89 1.81 2.02 -1.23 -2.53 112.91 113.32 1u4j h THR 47 Ca 0.03 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 66.84 1u4j h THR 47 Cb 0.01 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 1u4j h THR 47 CO -0.01 0.15 0.56 -0.74 0.37 0.00 0.00 175.52 175.85 1u4j h HIS 48 N 0.27 1.05 -0.55 3.16 -0.00 -1.16 0.43 115.15 118.34 1u4j h HIS 48 Ca 0.08 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 1u4j h HIS 48 Cb 0.12 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.16 1u4j h HIS 48 CO -0.02 0.55 0.33 -0.44 -0.00 0.00 0.00 177.93 178.35 1u4j h ASP 49 N 1.04 0.53 -0.25 3.26 5.19 -1.00 -0.99 116.42 124.20 1u4j h ASP 49 Ca 0.38 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.67 1u4j h ASP 49 Cb 0.12 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1u4j h ASP 49 CO -0.16 0.37 -0.26 0.45 -3.12 0.00 0.00 179.24 176.52 1u4j h HIS 50 N 0.65 0.85 -0.71 4.55 3.86 -0.92 -2.12 115.15 121.31 1u4j h HIS 50 Ca 0.22 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1u4j h HIS 50 Cb 0.03 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 1u4j h HIS 50 CO -0.06 0.92 0.47 0.00 0.86 0.00 0.00 177.93 180.12 1u4j h TYR 52 N 0.96 0.72 -0.59 0.00 -1.99 -1.02 -1.27 116.97 113.77 1u4j h TYR 52 Ca 0.26 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.89 1u4j h TYR 52 Cb -0.10 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.40 1u4j h TYR 52 CO -0.02 0.69 0.35 -0.91 -0.00 0.00 0.00 178.16 178.26 1u4j h ASN 53 N 0.64 0.72 0.23 3.88 2.35 -0.54 -2.69 115.58 120.16 1u4j h ASN 53 Ca 0.13 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1u4j h ASN 53 Cb 0.42 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1u4j h ASN 53 CO 0.02 0.58 -0.49 0.11 -1.65 0.00 0.00 177.43 175.99 1u4j h LYS 54 N 0.80 0.30 -0.84 0.81 1.57 -0.87 -2.95 116.57 115.39 1u4j h LYS 54 Ca 0.21 -0.17 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1u4j h LYS 54 Cb 0.00 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1u4j h LYS 54 CO -0.04 0.73 0.55 0.00 -0.57 0.00 0.00 179.45 180.13 1u4j h ALA 55 N 1.24 2.00 0.00 3.86 0.00 -0.90 0.35 119.26 125.82 1u4j h ALA 55 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1u4j h ALA 55 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1u4j h ALA 55 CO 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 179.25 179.03 1u4j h ALA 56 N 1.62 1.26 0.00 0.00 0.00 -1.48 -0.63 119.26 120.02 1u4j h ALA 56 Ca 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1u4j h ALA 56 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1u4j h ALA 56 CO -0.17 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.25 1u4j n ASN 57 N -3.53 0.00 -4.66 0.00 3.02 0.12 -4.67 115.26 105.54 1u4j n ASN 57 Ca -0.02 -0.90 -0.35 0.00 -0.03 0.00 0.00 54.58 53.28 1u4j n ASN 57 Cb 0.18 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.25 1u4j n ASN 57 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1u4j s ILE 58 N -2.00 4.34 0.30 2.41 1.01 -0.25 -5.07 121.20 121.94 1u4j s ILE 58 Ca 0.21 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1u4j s ILE 58 Cb 0.10 -2.85 -0.13 0.00 0.01 0.00 0.00 42.46 39.60 1u4j s ILE 58 CO 0.17 0.58 1.36 -2.65 0.00 0.00 0.00 174.94 174.40 1u4j n PRO 59 N 2.40 2.15 -4.11 2.79 -0.02 -1.26 -2.45 135.00 134.51 1u4j n PRO 59 Ca -0.18 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1u4j n PRO 59 Cb 0.53 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1u4j n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u4j n GLY 60 N 1.42 -0.45 2.96 -1.23 0.00 -1.26 -4.89 105.19 101.73 1u4j n GLY 60 Ca 0.08 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1u4j n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4j s ASN 62 N 1.46 3.71 0.55 0.00 3.84 -1.26 -4.27 114.94 118.98 1u4j s ASN 62 Ca -0.01 -1.06 0.26 0.00 0.21 0.00 0.00 52.86 52.26 1u4j s ASN 62 Cb -0.16 -1.28 1.47 0.00 -0.55 0.00 0.00 41.25 40.72 1u4j s ASN 62 CO -0.08 -0.17 2.01 1.55 -2.79 0.00 0.00 177.10 177.62 1u4j h PRO 63 N 7.93 0.00 0.00 0.43 0.13 -1.90 -1.36 132.00 137.22 1u4j h PRO 63 Ca -0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1u4j h PRO 63 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1u4j h PRO 63 CO 0.46 0.00 -1.21 -0.07 -0.23 0.00 0.00 178.00 176.95 1u4j h LEU 64 N 0.00 0.00 0.00 1.56 3.38 -1.95 -3.38 115.31 114.92 1u4j h LEU 64 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1u4j h LEU 64 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1u4j h LEU 64 CO -0.00 0.43 -0.55 2.30 0.09 0.00 0.00 178.44 180.71 1u4j n ILE 65 N -2.88 0.00 -1.98 1.22 -5.35 -1.13 -2.43 119.36 106.81 1u4j n ILE 65 Ca -0.06 -0.30 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 1u4j n ILE 65 Cb 0.76 0.83 -0.03 0.00 -1.74 0.00 0.00 39.64 39.47 1u4j n ILE 65 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1u4j s LYS 66 N -1.80 4.13 -0.24 6.28 2.36 -0.53 -4.77 119.74 125.17 1u4j s LYS 66 Ca 0.01 2.18 -0.18 0.00 -2.55 0.00 0.00 55.97 55.43 1u4j s LYS 66 Cb 0.04 -4.01 -0.03 0.00 -1.05 0.00 0.00 37.83 32.79 1u4j s LYS 66 CO 0.25 -0.91 0.50 0.99 1.55 0.00 0.00 175.35 177.74 1u4j s THR 67 N 4.23 5.09 0.43 3.43 2.01 -1.26 0.87 115.64 130.43 1u4j s THR 67 Ca 0.75 0.87 0.03 0.00 0.31 0.00 0.00 61.69 63.65 1u4j s THR 67 Cb -0.33 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.39 1u4j s THR 67 CO 0.30 0.13 0.23 0.00 -0.69 0.00 0.00 174.62 174.59 1u4j n TYR 68 N 5.24 -0.27 -4.26 4.92 4.11 -1.26 -4.90 117.16 120.74 1u4j n TYR 68 Ca -0.05 -1.89 -0.34 0.00 -0.00 0.00 0.00 57.90 55.62 1u4j n TYR 68 Cb 0.50 -0.33 -0.12 0.00 -0.00 0.00 0.00 39.34 39.39 1u4j n TYR 68 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1u4j s SER 69 N -3.46 4.87 0.12 9.48 0.01 -1.26 -4.94 113.70 118.51 1u4j s SER 69 Ca 0.17 -0.14 -0.21 0.00 1.31 0.00 0.00 55.95 57.09 1u4j s SER 69 Cb -0.01 -1.81 0.06 0.00 0.21 0.00 0.00 66.02 64.46 1u4j s SER 69 CO 0.11 0.13 0.53 -0.72 0.41 0.00 0.00 173.24 173.70 1u4j s TYR 70 N 0.58 -0.42 0.11 2.43 1.13 -1.26 -1.39 117.35 118.54 1u4j s TYR 70 Ca -0.02 0.23 0.07 0.00 -1.41 0.00 0.00 57.07 55.95 1u4j s TYR 70 Cb -0.14 0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 1u4j s TYR 70 CO 0.02 -0.76 -0.18 -0.08 -2.51 0.00 0.00 175.55 172.04 1u4j s THR 71 N -3.48 1.57 -0.15 -3.49 -1.32 -0.20 -4.96 115.64 103.61 1u4j s THR 71 Ca 0.00 -1.62 0.02 0.00 -1.21 0.00 0.00 61.69 58.88 1u4j s THR 71 Cb 0.00 -1.54 0.02 0.00 -1.51 0.00 0.00 72.50 69.47 1u4j s THR 71 CO -0.10 -0.20 -0.19 0.00 -2.21 0.00 0.00 174.62 171.92 1u4j n THR 73 N 4.38 1.27 -0.86 0.00 -1.04 0.15 -4.96 114.28 113.21 1u4j n THR 73 Ca -0.20 -4.72 -0.33 0.00 -2.04 0.00 0.00 64.05 56.76 1u4j n THR 73 Cb 0.51 -2.06 -0.05 0.00 -1.82 0.00 0.00 70.33 66.91 1u4j n THR 73 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1u4j n LYS 74 N 1.59 0.00 -0.42 -2.82 4.81 -1.26 0.14 118.16 120.20 1u4j n LYS 74 Ca 0.25 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.73 1u4j n LYS 74 Cb 0.41 -0.74 0.19 0.00 0.02 0.00 0.00 35.03 34.91 1u4j n LYS 74 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1u4j n PRO 75 N 1.93 2.81 -3.39 1.64 -0.04 -1.26 -5.12 135.00 131.57 1u4j n PRO 75 Ca 0.15 -1.51 -0.38 0.00 -0.04 0.00 0.00 63.50 61.72 1u4j n PRO 75 Cb -0.03 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1u4j n PRO 75 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1u4j s ASN 76 N -0.43 6.70 -0.13 3.54 0.01 0.37 -4.00 114.94 120.99 1u4j s ASN 76 Ca 0.26 0.83 -0.03 0.00 -0.71 0.00 0.00 52.86 53.22 1u4j s ASN 76 Cb 0.20 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.56 1u4j s ASN 76 CO 0.08 0.11 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.12 1u4j s ILE 77 N 0.08 3.92 -0.10 0.60 1.01 -1.26 0.29 121.20 125.74 1u4j s ILE 77 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1u4j s ILE 77 Cb -0.15 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1u4j s ILE 77 CO 0.11 0.53 -0.11 -0.89 0.00 0.00 0.00 174.94 174.57 1u4j s THR 78 N -0.03 1.19 -0.17 2.92 2.01 -0.56 -4.98 115.64 116.02 1u4j s THR 78 Ca 0.01 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 1u4j s THR 78 Cb -0.13 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1u4j s THR 78 CO 0.03 0.38 0.57 0.00 -0.69 0.00 0.00 174.62 174.91 1u4j n ASN 80 N 4.58 0.51 -4.77 0.00 3.02 -0.49 -4.97 115.26 113.13 1u4j n ASN 80 Ca -0.03 0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 1u4j n ASN 80 Cb 0.50 0.95 -0.02 0.00 -0.61 0.00 0.00 39.78 40.61 1u4j n ASN 80 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1u4j s ASP 81 N -5.17 6.75 0.06 6.41 1.01 -1.26 -4.90 116.67 119.58 1u4j s ASP 81 Ca -0.04 2.67 0.00 0.00 0.71 0.00 0.00 52.55 55.89 1u4j s ASP 81 Cb 0.11 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1u4j s ASP 81 CO 0.84 -0.55 0.00 0.41 0.21 0.00 0.00 175.17 176.08 1u4j n THR 82 N 0.75 0.23 -0.02 -1.27 -1.04 -1.26 -4.67 114.28 107.01 1u4j n THR 82 Ca 0.00 0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.96 1u4j n THR 82 Cb 0.42 -1.12 -0.09 0.00 -1.82 0.00 0.00 70.33 67.72 1u4j n THR 82 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1u4j h SER 83 N 0.00 0.08 -1.22 8.00 0.02 -2.04 -3.39 113.55 114.99 1u4j h SER 83 Ca 0.00 -0.46 -0.44 0.00 -0.84 0.00 0.00 61.79 60.05 1u4j h SER 83 Cb 0.41 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1u4j h SER 83 CO 0.00 0.52 1.09 -0.62 -1.14 0.00 0.00 176.83 176.68 1u4j s ASP 84 N -5.75 5.66 0.26 3.07 -1.08 -1.26 -4.85 116.67 112.72 1u4j s ASP 84 Ca -0.15 -0.70 -0.03 0.00 -0.52 0.00 0.00 52.55 51.15 1u4j s ASP 84 Cb 0.03 -2.56 0.43 0.00 -1.46 0.00 0.00 42.92 39.36 1u4j s ASP 84 CO 0.69 -2.23 1.83 0.28 0.52 0.00 0.00 175.17 176.26 1u4j h SER 85 N 11.35 0.80 -0.12 -0.34 0.02 -1.97 -0.56 113.55 122.75 1u4j h SER 85 Ca 0.02 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1u4j h SER 85 Cb 1.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1u4j h SER 85 CO 1.28 0.46 0.05 0.00 -1.14 0.00 0.00 176.83 177.49 1u4j h ALA 87 N 0.91 -0.04 -0.89 0.00 0.00 -1.80 -1.68 119.26 115.76 1u4j h ALA 87 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u4j h ALA 87 Cb 0.14 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1u4j h ALA 87 CO -0.00 -0.55 0.52 0.07 0.00 0.00 0.00 179.25 179.28 1u4j h ARG 88 N -0.11 1.23 -0.07 0.00 0.11 -1.00 0.23 114.38 114.77 1u4j h ARG 88 Ca 0.05 -0.13 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 1u4j h ARG 88 Cb 0.18 -0.25 -0.00 0.00 1.11 0.00 0.00 29.97 31.00 1u4j h ARG 88 CO -0.11 0.88 0.02 0.35 0.10 0.00 0.00 179.97 181.20 1u4j h PHE 89 N 1.24 0.11 -0.53 4.08 3.57 -0.94 -1.85 116.94 122.62 1u4j h PHE 89 Ca 0.32 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1u4j h PHE 89 Cb -0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1u4j h PHE 89 CO 0.01 0.28 -0.00 0.82 -2.23 0.00 0.00 178.31 177.18 1u4j h ILE 90 N -0.09 1.26 -0.50 1.41 2.04 -1.17 -1.23 117.51 119.23 1u4j h ILE 90 Ca 0.02 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1u4j h ILE 90 Cb 0.23 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1u4j h ILE 90 CO -0.00 0.39 0.20 0.00 0.00 0.00 0.00 178.15 178.74 1u4j h ASP 92 N 0.71 0.71 0.17 0.00 3.58 -0.90 0.08 116.42 120.77 1u4j h ASP 92 Ca 0.17 -0.34 0.02 0.00 0.42 0.00 0.00 57.03 57.30 1u4j h ASP 92 Cb 0.14 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1u4j h ASP 92 CO -0.02 0.88 -0.35 0.00 -2.88 0.00 0.00 179.24 176.87 1u4j h ASP 94 N -0.61 0.72 -0.42 0.00 3.32 -1.19 -1.39 116.42 116.84 1u4j h ASP 94 Ca 0.02 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1u4j h ASP 94 Cb 0.62 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1u4j h ASP 94 CO -0.17 0.58 0.17 -0.09 -1.72 0.00 0.00 179.24 178.01 1u4j h ARG 95 N 0.80 0.63 -0.33 3.56 2.43 -0.82 0.19 114.38 120.84 1u4j h ARG 95 Ca 0.21 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1u4j h ARG 95 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1u4j h ARG 95 CO -0.04 0.58 0.20 1.15 -1.51 0.00 0.00 179.97 180.35 1u4j h THR 96 N 0.54 1.04 -0.29 0.20 2.02 -0.79 -0.73 112.91 114.91 1u4j h THR 96 Ca 0.14 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1u4j h THR 96 Cb 0.18 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1u4j h THR 96 CO -0.01 0.07 0.11 0.00 0.37 0.00 0.00 175.52 176.07 1u4j h ALA 97 N 1.14 0.37 -0.57 6.16 0.00 -0.97 -0.37 119.26 125.03 1u4j h ALA 97 Ca 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1u4j h ALA 97 Cb -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1u4j h ALA 97 CO -0.06 -0.03 0.29 0.00 0.00 0.00 0.00 179.25 179.45 1u4j h ALA 98 N 0.96 0.74 -0.37 0.00 0.00 -0.31 0.21 119.26 120.49 1u4j h ALA 98 Ca 0.10 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1u4j h ALA 98 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u4j h ALA 98 CO -0.01 -0.06 -0.36 0.82 0.00 0.00 0.00 179.25 179.64 1u4j h ILE 99 N 0.55 1.28 -0.17 0.00 2.04 -1.02 -2.45 117.51 117.73 1u4j h ILE 99 Ca 0.26 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1u4j h ILE 99 Cb 0.18 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1u4j h ILE 99 CO -0.18 0.51 0.11 0.00 0.00 0.00 0.00 178.15 178.59 1u4j h PHE 101 N 0.23 0.06 -0.93 0.00 -1.00 -0.59 -1.31 116.94 113.40 1u4j h PHE 101 Ca 0.06 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.88 1u4j h PHE 101 Cb -0.02 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 1u4j h PHE 101 CO -0.07 -0.01 0.62 0.00 -1.61 0.00 0.00 178.31 177.23 1u4j h ALA 102 N 1.27 1.19 0.00 2.45 0.00 -1.02 -2.88 119.26 120.26 1u4j h ALA 102 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1u4j h ALA 102 Cb 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1u4j h ALA 102 CO -0.23 0.56 -0.26 0.77 0.00 0.00 0.00 179.25 180.09 1u4j h SER 103 N 1.25 0.00 -3.86 0.00 0.02 -1.01 -3.47 113.55 106.48 1u4j h SER 103 Ca 0.35 -0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.80 1u4j h SER 103 Cb -0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1u4j h SER 103 CO -0.08 0.01 0.19 0.00 -1.14 0.00 0.00 176.83 175.81 1u4j s ALA 104 N -3.20 3.21 0.53 3.77 0.00 -0.52 -5.04 121.76 120.50 1u4j s ALA 104 Ca 0.07 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1u4j s ALA 104 Cb 0.09 -2.92 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 1u4j s ALA 104 CO 0.68 0.25 1.03 -2.14 0.00 0.00 0.00 175.76 175.58 1u4j s PRO 105 N -3.07 3.67 -0.35 0.00 0.02 -1.26 -4.95 135.00 129.05 1u4j s PRO 105 Ca 0.57 1.23 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 1u4j s PRO 105 Cb -0.10 -2.08 0.04 0.00 0.02 0.00 0.00 34.50 32.38 1u4j s PRO 105 CO 0.16 -0.53 0.14 -0.47 -0.33 0.00 0.00 177.00 175.97 1u4j s TYR 106 N -2.27 3.26 -0.56 6.54 6.14 -1.26 -4.49 117.35 124.71 1u4j s TYR 106 Ca 0.64 -1.36 -0.19 0.00 0.64 0.00 0.00 57.07 56.80 1u4j s TYR 106 Cb -0.15 -2.37 0.08 0.00 0.42 0.00 0.00 41.96 39.95 1u4j s TYR 106 CO 0.28 -0.73 0.67 -0.80 0.64 0.00 0.00 175.55 175.61 1u4j s ASN 107 N 1.49 6.20 0.66 4.32 0.01 -1.26 -4.90 114.94 121.46 1u4j s ASN 107 Ca -0.01 -1.22 0.40 0.00 -0.71 0.00 0.00 52.86 51.33 1u4j s ASN 107 Cb -0.20 -2.30 2.19 0.00 0.41 0.00 0.00 41.25 41.36 1u4j s ASN 107 CO 0.03 -1.03 2.24 0.16 -1.51 0.00 0.00 177.10 176.99 1u4j h ILE 108 N 5.90 0.00 0.00 0.60 3.07 -1.97 0.82 117.51 125.93 1u4j h ILE 108 Ca -0.29 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.10 1u4j h ILE 108 Cb 1.09 0.90 -0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1u4j h ILE 108 CO 1.05 0.00 -0.13 0.78 -1.05 0.00 0.00 178.15 178.80 1u4j h ASN 109 N 0.00 0.00 -0.65 2.16 4.21 -2.02 -2.80 115.58 116.48 1u4j h ASN 109 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1u4j h ASN 109 Cb 0.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 1u4j h ASN 109 CO 0.00 0.13 0.00 0.59 -1.29 0.00 0.00 177.43 176.86 1u4j n ASN 110 N -3.50 4.41 -4.74 5.81 3.02 0.29 -4.87 115.26 115.68 1u4j n ASN 110 Ca -0.01 -2.30 -0.39 0.00 -0.03 0.00 0.00 54.58 51.84 1u4j n ASN 110 Cb 0.28 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 1u4j n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1u4j s ILE 111 N -1.57 4.95 -0.60 2.41 1.01 -1.06 -0.05 121.20 126.28 1u4j s ILE 111 Ca 0.49 1.40 -0.01 0.00 0.00 0.00 0.00 60.65 62.53 1u4j s ILE 111 Cb 0.30 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1u4j s ILE 111 CO 0.26 0.33 0.56 0.23 0.00 0.00 0.00 174.94 176.32 1u4j n MET 112 N 3.26 -1.12 0.00 2.79 2.81 -1.11 -4.91 117.12 118.84 1u4j n MET 112 Ca -0.03 1.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.99 1u4j n MET 112 Cb 0.51 -4.71 0.00 0.00 -0.71 0.00 0.00 33.22 28.31 1u4j n MET 112 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1u4j n ILE 113 N -1.81 0.00 0.20 2.02 -5.35 -1.26 -4.88 119.36 108.27 1u4j n ILE 113 Ca -0.01 -0.06 0.18 0.00 -0.27 0.00 0.00 62.75 62.59 1u4j n ILE 113 Cb 0.52 1.21 0.79 0.00 -1.74 0.00 0.00 39.64 40.42 1u4j n ILE 113 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1u4j h SER 114 N 0.00 0.00 -0.28 7.28 4.64 -1.92 0.28 113.55 123.55 1u4j h SER 114 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u4j h SER 114 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1u4j h SER 114 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1u4j n ALA 115 N -2.17 2.39 -1.99 5.18 0.00 -1.26 -4.67 120.51 118.00 1u4j n ALA 115 Ca 0.03 -0.92 -0.21 0.00 0.00 0.00 0.00 53.44 52.35 1u4j n ALA 115 Cb 0.49 -0.68 0.04 0.00 0.00 0.00 0.00 19.45 19.30 1u4j n ALA 115 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u4j s SER 116 N -1.32 5.19 0.46 0.00 1.04 0.98 -4.98 113.70 115.07 1u4j s SER 116 Ca 0.30 -0.18 0.23 0.00 0.48 0.00 0.00 55.95 56.79 1u4j s SER 116 Cb 0.18 -0.64 1.24 0.00 0.10 0.00 0.00 66.02 66.90 1u4j s SER 116 CO 0.25 -1.20 1.84 0.71 0.98 0.00 0.00 173.24 175.82 1u4j h THR 117 N 0.07 0.58 -0.97 2.02 1.35 -1.94 -2.41 112.91 111.62 1u4j h THR 117 Ca -0.40 -0.09 0.22 0.00 -0.55 0.00 0.00 66.41 65.59 1u4j h THR 117 Cb 1.29 0.31 -0.12 0.00 -1.73 0.00 0.00 68.15 67.90 1u4j h THR 117 CO 0.49 0.05 0.54 0.28 -0.25 0.00 0.00 175.52 176.62 1u4j h SER 118 N 0.25 0.61 -0.65 5.36 0.02 -1.94 -1.24 113.55 115.97 1u4j h SER 118 Ca 0.49 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 1u4j h SER 118 Cb 1.49 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1u4j h SER 118 CO -0.14 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.67