#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 0.69 -1.11 -4.53 5.85 -1.60 0.28 115.31 114.88 1u4j h LEU 2 Ca 0.00 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1u4j h LEU 2 Cb 0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1u4j h LEU 2 CO 0.00 0.26 -0.03 0.50 -0.34 0.00 0.00 178.44 178.83 1u4j h LYS 3 N 0.72 0.59 -0.40 1.25 3.11 -1.97 -1.13 116.57 118.74 1u4j h LYS 3 Ca 0.53 -0.15 -0.16 0.00 -2.81 0.00 0.00 60.65 58.07 1u4j h LYS 3 Cb 0.78 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1u4j h LYS 3 CO -0.37 0.64 -0.37 1.96 -2.81 0.00 0.00 179.45 178.49 1u4j h GLN 4 N 0.56 0.95 -0.59 1.90 4.20 -1.40 -2.75 115.11 117.97 1u4j h GLN 4 Ca 0.11 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1u4j h GLN 4 Cb 0.40 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1u4j h GLN 4 CO 0.02 1.15 0.37 0.35 -0.67 0.00 0.00 178.83 180.05 1u4j h PHE 5 N 0.78 0.76 -0.21 2.96 3.57 -0.81 0.22 116.94 124.20 1u4j h PHE 5 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1u4j h PHE 5 Cb 0.97 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1u4j h PHE 5 CO 0.06 0.50 0.07 0.87 -2.23 0.00 0.00 178.31 177.59 1u4j h LYS 6 N 0.80 0.16 -0.58 1.11 1.57 -1.15 0.09 116.57 118.58 1u4j h LYS 6 Ca 0.21 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1u4j h LYS 6 Cb -0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1u4j h LYS 6 CO -0.04 0.11 0.11 -0.91 -0.57 0.00 0.00 179.45 178.15 1u4j h ASN 7 N 0.17 0.87 -0.98 0.86 -0.26 -1.16 -1.84 115.58 113.24 1u4j h ASN 7 Ca 0.09 -0.18 0.01 0.00 -0.56 0.00 0.00 56.30 55.66 1u4j h ASN 7 Cb 0.06 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 37.05 1u4j h ASN 7 CO -0.10 0.87 0.64 0.24 -1.06 0.00 0.00 177.43 178.01 1u4j h MET 8 N 0.88 1.30 -0.36 0.81 2.86 -0.45 0.11 114.93 120.08 1u4j h MET 8 Ca 0.18 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1u4j h MET 8 Cb 0.36 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1u4j h MET 8 CO 0.01 0.87 0.19 0.82 1.06 0.00 0.00 176.91 179.86 1u4j h ILE 9 N 1.34 1.00 -0.00 -1.22 2.04 -0.14 -0.31 117.51 120.22 1u4j h ILE 9 Ca 0.36 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1u4j h ILE 9 Cb -0.13 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1u4j h ILE 9 CO -0.07 0.07 -0.14 0.00 0.00 0.00 0.00 178.15 178.00 1u4j n GLN 10 N -4.92 0.07 0.01 2.37 10.64 -1.00 -1.76 117.38 122.80 1u4j n GLN 10 Ca 0.01 -0.02 -0.12 0.00 -1.83 0.00 0.00 57.00 55.03 1u4j n GLN 10 Cb 0.08 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 27.86 1u4j n GLN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1u4j h ALA 12 N 0.11 0.71 -4.34 0.00 0.00 -1.14 -3.38 119.26 111.22 1u4j h ALA 12 Ca -0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 54.91 54.18 1u4j h ALA 12 Cb 0.57 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1u4j h ALA 12 CO 0.02 0.56 -0.24 0.41 0.00 0.00 0.00 179.25 180.00 1u4j n GLY 13 N 1.22 3.75 0.12 0.00 0.00 -0.72 -4.80 105.19 104.75 1u4j n GLY 13 Ca 0.02 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.70 1u4j n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u4j h THR 14 N 1.26 1.02 -3.80 2.61 2.02 -1.85 -3.43 112.91 110.74 1u4j h THR 14 Ca -0.18 -2.36 -0.48 0.00 0.77 0.00 0.00 66.41 64.16 1u4j h THR 14 Cb 0.62 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 1u4j h THR 14 CO 0.29 0.65 0.23 -0.13 0.37 0.00 0.00 175.52 176.93 1u4j s ARG 17 N -2.45 4.31 0.67 6.66 0.52 -1.26 -5.00 118.95 122.40 1u4j s ARG 17 Ca -0.21 1.03 0.01 0.00 -0.52 0.00 0.00 55.73 56.04 1u4j s ARG 17 Cb 0.04 -2.63 0.11 0.00 0.52 0.00 0.00 34.95 32.99 1u4j s ARG 17 CO 0.73 0.23 0.93 0.95 0.02 0.00 0.00 175.30 178.16 1u4j s THR 18 N -1.77 2.22 0.42 0.02 -4.23 -1.26 -4.31 115.64 106.73 1u4j s THR 18 Ca 0.51 -0.67 0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1u4j s THR 18 Cb -0.15 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.43 1u4j s THR 18 CO 0.20 0.00 2.04 4.11 -0.54 0.00 0.00 174.62 180.43 1u4j h TRP 19 N -0.32 0.48 -0.01 3.99 5.08 -1.91 -2.23 115.95 121.03 1u4j h TRP 19 Ca -0.36 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1u4j h TRP 19 Cb 1.27 -0.16 -0.00 0.00 -3.00 0.00 0.00 29.16 27.27 1u4j h TRP 19 CO -0.01 0.28 0.01 1.79 -1.28 0.00 0.00 178.44 179.23 1u4j h THR 20 N 0.50 0.35 0.00 0.12 1.35 -1.98 0.22 112.91 113.47 1u4j h THR 20 Ca 0.18 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.01 1u4j h THR 20 Cb 0.09 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1u4j h THR 20 CO -0.04 0.00 -0.12 -1.28 -0.25 0.00 0.00 175.52 173.83 1u4j h SER 21 N 0.00 0.00 -0.59 5.36 0.87 -1.78 -2.64 113.55 114.77 1u4j h SER 21 Ca 0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.17 1u4j h SER 21 Cb 0.02 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.73 1u4j h SER 21 CO -0.00 0.12 -0.21 -1.22 -0.53 0.00 0.00 176.83 174.99 1u4j n TYR 22 N -3.41 2.00 -0.01 2.24 4.02 0.77 -4.56 117.16 118.21 1u4j n TYR 22 Ca -0.01 -2.07 -0.13 0.00 -0.01 0.00 0.00 57.90 55.68 1u4j n TYR 22 Cb 0.30 -0.59 -0.14 0.00 -0.02 0.00 0.00 39.34 38.89 1u4j n TYR 22 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1u4j h ILE 23 N 1.43 0.80 -2.02 -0.72 2.04 -1.43 -3.28 117.51 114.32 1u4j h ILE 23 Ca 0.33 -2.60 -0.54 0.00 1.00 0.00 0.00 64.86 63.05 1u4j h ILE 23 Cb 1.44 2.46 -0.40 0.00 -0.74 0.00 0.00 36.82 39.59 1u4j h ILE 23 CO 0.71 0.63 -1.09 0.61 0.00 0.00 0.00 178.15 179.01 1u4j n GLY 24 N 1.69 3.31 3.28 5.37 0.00 -1.26 -4.26 105.19 113.32 1u4j n GLY 24 Ca -0.21 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.72 2.16 0.00 1.61 6.14 -1.25 -2.92 117.35 121.38 1u4j s TYR 25 Ca 0.37 -0.41 0.00 0.00 0.64 0.00 0.00 57.07 57.67 1u4j s TYR 25 Cb 0.23 -1.39 0.00 0.00 0.42 0.00 0.00 41.96 41.21 1u4j s TYR 25 CO -0.10 -0.04 0.00 0.41 0.64 0.00 0.00 175.55 176.47 1u4j n GLY 26 N 2.48 0.83 0.01 8.97 0.00 0.98 -2.24 105.19 116.22 1u4j n GLY 26 Ca -0.16 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.57 0.00 -2.61 0.00 4.02 -1.25 -3.11 117.16 112.64 1u4j n TYR 28 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 1u4j n TYR 28 Cb 0.35 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.63 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 2.53 -0.25 3.78 0.00 0.00 -1.24 -3.83 105.19 106.18 1u4j n GLY 30 Ca 0.05 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1u4j n GLY 30 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1u4j s TYR 31 N 0.00 3.09 0.00 1.61 5.04 -1.26 -4.92 117.35 120.91 1u4j s TYR 31 Ca 0.00 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1u4j s TYR 31 Cb 0.00 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 39.06 1u4j s TYR 31 CO 0.00 -1.05 0.00 0.41 -1.34 0.00 0.00 175.55 173.57 1u4j n GLY 32 N 0.40 0.88 0.00 8.97 0.00 -1.26 -4.94 105.19 109.23 1u4j n GLY 32 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.92 3.60 -0.02 0.00 -1.26 -4.57 105.19 106.86 1u4j n GLY 33 Ca 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.10 0.00 1.61 1.04 -1.18 -4.99 113.70 110.08 1u4j s SER 34 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1u4j s SER 34 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1u4j s SER 34 CO 0.00 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1u4j n GLY 35 N -0.38 -1.83 3.70 7.32 0.00 -1.24 -4.78 105.19 107.98 1u4j n GLY 35 Ca -0.02 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 5.35 0.00 2.61 2.01 -1.26 -5.03 115.64 119.33 1u4j s THR 36 Ca 0.00 0.30 -0.35 0.00 0.31 0.00 0.00 61.69 61.95 1u4j s THR 36 Cb 0.00 -3.53 -0.13 0.00 0.01 0.00 0.00 72.50 68.84 1u4j s THR 36 CO 0.00 0.37 1.70 -2.65 -0.69 0.00 0.00 174.62 173.36 1u4j n PRO 37 N 3.94 1.97 0.25 4.92 -0.02 -1.26 -4.81 135.00 139.99 1u4j n PRO 37 Ca -0.14 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1u4j n PRO 37 Cb 0.52 -2.50 0.68 0.00 -0.02 0.00 0.00 33.50 32.17 1u4j n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1u4j h VAL 38 N 4.54 0.64 -2.47 -1.45 -1.51 -1.91 -3.45 116.25 110.63 1u4j h VAL 38 Ca -0.47 -0.61 -0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1u4j h VAL 38 Cb 1.28 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 1u4j h VAL 38 CO 0.91 0.14 0.16 -0.90 -1.23 0.00 0.00 177.57 176.65 1u4j n ASP 39 N -3.69 -1.17 -0.01 4.19 5.68 -1.26 -5.02 116.55 115.27 1u4j n ASP 39 Ca -0.02 -1.79 -0.10 0.00 -0.50 0.00 0.00 54.79 52.38 1u4j n ASP 39 Cb 0.26 1.95 -0.04 0.00 -1.14 0.00 0.00 41.12 42.15 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 -0.35 -0.33 0.11 4.81 -1.91 0.19 114.58 117.10 1u4j h GLU 40 Ca -0.17 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1u4j h GLU 40 Cb 0.64 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 1u4j h GLU 40 CO 0.22 -0.24 0.01 1.25 -0.73 0.00 0.00 179.01 179.53 1u4j h LEU 41 N -0.37 -0.10 -1.44 1.64 5.85 -1.91 0.18 115.31 119.16 1u4j h LEU 41 Ca 0.10 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1u4j h LEU 41 Cb 0.53 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1u4j h LEU 41 CO -0.36 -0.02 0.34 -0.78 -0.34 0.00 0.00 178.44 177.29 1u4j h ASP 42 N 0.11 0.62 0.06 1.25 3.58 -1.80 0.16 116.42 120.40 1u4j h ASP 42 Ca 0.16 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.50 1u4j h ASP 42 Cb 0.21 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1u4j h ASP 42 CO -0.25 0.47 -0.28 0.03 -2.88 0.00 0.00 179.24 176.33 1u4j h ARG 43 N 0.73 0.35 -0.10 0.28 3.08 0.81 0.25 114.38 119.78 1u4j h ARG 43 Ca 0.19 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1u4j h ARG 43 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1u4j h ARG 43 CO -0.04 0.60 0.02 0.00 -1.07 0.00 0.00 179.97 179.49 1u4j h TYR 46 N 1.07 0.21 -0.39 0.00 3.20 -0.59 -1.49 116.97 118.97 1u4j h TYR 46 Ca 0.25 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 1u4j h TYR 46 Cb 0.21 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1u4j h TYR 46 CO 0.02 0.11 0.11 1.15 -1.64 0.00 0.00 178.16 177.91 1u4j h THR 47 N 0.24 1.22 -0.92 1.81 2.02 -0.99 -2.86 112.91 113.43 1u4j h THR 47 Ca 0.10 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.57 1u4j h THR 47 Cb 0.04 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 1u4j h THR 47 CO -0.08 0.26 0.60 -0.74 0.37 0.00 0.00 175.52 175.93 1u4j h HIS 48 N 0.49 1.11 -0.46 3.16 -0.00 -1.12 -0.54 115.15 117.80 1u4j h HIS 48 Ca 0.12 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1u4j h HIS 48 Cb 0.29 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 1u4j h HIS 48 CO 0.01 0.63 0.28 -0.44 -0.00 0.00 0.00 177.93 178.41 1u4j h ASP 49 N 1.14 0.46 -0.13 3.26 5.19 -1.15 -0.44 116.42 124.77 1u4j h ASP 49 Ca 0.37 -0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.67 1u4j h ASP 49 Cb 0.04 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1u4j h ASP 49 CO -0.13 0.33 -0.28 0.45 -3.12 0.00 0.00 179.24 176.49 1u4j h HIS 50 N 0.57 0.68 -0.37 4.55 3.86 -1.17 -1.93 115.15 121.33 1u4j h HIS 50 Ca 0.18 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1u4j h HIS 50 Cb -0.01 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1u4j h HIS 50 CO -0.06 0.81 0.16 0.00 0.86 0.00 0.00 177.93 179.70 1u4j h TYR 52 N 0.46 0.67 -0.02 0.00 -1.99 -0.89 -0.35 116.97 114.84 1u4j h TYR 52 Ca 0.13 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 1u4j h TYR 52 Cb 0.15 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 1u4j h TYR 52 CO -0.01 0.59 -0.12 -0.97 -0.00 0.00 0.00 178.16 177.65 1u4j h ASN 53 N 0.56 0.03 1.27 3.88 -0.00 -1.11 -1.78 115.58 118.42 1u4j h ASN 53 Ca 0.14 -0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.29 1u4j h ASN 53 Cb 0.21 -0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 38.51 1u4j h ASN 53 CO -0.01 0.16 -0.73 0.11 -0.00 0.00 0.00 177.43 176.95 1u4j h LYS 54 N 0.03 0.00 -0.18 6.67 1.57 -0.32 -3.22 116.57 121.12 1u4j h LYS 54 Ca 0.01 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1u4j h LYS 54 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1u4j h LYS 54 CO 0.02 0.69 0.13 0.00 -0.57 0.00 0.00 179.45 179.72 1u4j h ALA 55 N 1.30 2.12 0.00 3.86 0.00 -0.16 -0.67 119.26 125.71 1u4j h ALA 55 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1u4j h ALA 55 Cb 1.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1u4j h ALA 55 CO 0.09 -0.22 -0.18 0.00 0.00 0.00 0.00 179.25 178.93 1u4j h ALA 56 N 1.90 1.65 0.00 0.00 0.00 -1.56 -1.92 119.26 119.33 1u4j h ALA 56 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u4j h ALA 56 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1u4j h ALA 56 CO -0.00 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.57 1u4j n ASN 57 N -4.25 0.00 -4.53 0.00 3.02 -0.26 -4.59 115.26 104.65 1u4j n ASN 57 Ca -0.02 -0.89 -0.34 0.00 -0.03 0.00 0.00 54.58 53.30 1u4j n ASN 57 Cb 0.25 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.30 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 3.69 0.38 2.41 1.01 -0.72 -5.09 121.20 120.88 1u4j s ILE 58 Ca 0.06 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 1u4j s ILE 58 Cb 0.03 -2.55 -0.11 0.00 0.01 0.00 0.00 42.46 39.84 1u4j s ILE 58 CO 0.05 0.55 1.28 -2.65 0.00 0.00 0.00 174.94 174.17 1u4j n PRO 59 N 2.84 2.04 -3.98 2.79 -0.02 -1.26 -2.72 135.00 134.68 1u4j n PRO 59 Ca -0.18 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 1u4j n PRO 59 Cb 0.53 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.78 -0.47 2.94 -1.23 0.00 -1.26 -4.89 105.19 101.06 1u4j n GLY 60 Ca 0.05 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 3.62 0.49 0.00 3.84 -1.26 -4.29 114.94 118.79 1u4j s ASN 62 Ca -0.03 -0.98 0.21 0.00 0.21 0.00 0.00 52.86 52.27 1u4j s ASN 62 Cb -0.17 -1.35 1.25 0.00 -0.55 0.00 0.00 41.25 40.43 1u4j s ASN 62 CO -0.07 -0.13 1.97 1.55 -2.79 0.00 0.00 177.10 177.63 1u4j h PRO 63 N 7.92 0.16 0.00 0.43 0.13 -1.90 -1.28 132.00 137.46 1u4j h PRO 63 Ca -0.29 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 1u4j h PRO 63 Cb 1.09 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1u4j h PRO 63 CO 0.50 0.11 -0.66 -0.07 -0.23 0.00 0.00 178.00 177.65 1u4j h LEU 64 N 0.17 0.00 0.00 1.56 3.38 -1.96 -3.37 115.31 115.09 1u4j h LEU 64 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1u4j h LEU 64 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1u4j h LEU 64 CO -0.05 0.29 -0.84 2.30 0.09 0.00 0.00 178.44 180.23 1u4j n ILE 65 N -3.02 0.00 -1.83 1.22 -5.35 -1.11 -2.18 119.36 107.09 1u4j n ILE 65 Ca -0.00 -0.21 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1u4j n ILE 65 Cb 0.67 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 39.16 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 -1.99 4.17 -0.21 6.28 2.36 -0.50 -4.74 119.74 125.11 1u4j s LYS 66 Ca -0.00 2.43 -0.16 0.00 -2.55 0.00 0.00 55.97 55.69 1u4j s LYS 66 Cb 0.03 -3.85 -0.04 0.00 -1.05 0.00 0.00 37.83 32.92 1u4j s LYS 66 CO 0.19 -0.84 0.39 0.99 1.55 0.00 0.00 175.35 177.63 1u4j s THR 67 N 3.51 5.20 0.52 3.43 2.01 -1.26 0.66 115.64 129.71 1u4j s THR 67 Ca 0.79 0.69 0.03 0.00 0.31 0.00 0.00 61.69 63.51 1u4j s THR 67 Cb -0.40 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.42 1u4j s THR 67 CO 0.35 0.24 0.25 0.00 -0.69 0.00 0.00 174.62 174.77 1u4j n TYR 68 N 4.55 0.05 -4.17 4.92 0.18 -1.26 -4.91 117.16 116.52 1u4j n TYR 68 Ca -0.08 -2.31 -0.34 0.00 1.88 0.00 0.00 57.90 57.04 1u4j n TYR 68 Cb 0.51 -0.39 -0.11 0.00 -0.38 0.00 0.00 39.34 38.97 1u4j n TYR 68 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1u4j s SER 69 N -3.96 5.15 0.15 9.48 0.01 -1.26 -4.96 113.70 118.32 1u4j s SER 69 Ca 0.19 -0.06 -0.21 0.00 1.31 0.00 0.00 55.95 57.18 1u4j s SER 69 Cb -0.01 -1.87 0.06 0.00 0.21 0.00 0.00 66.02 64.41 1u4j s SER 69 CO 0.12 0.15 0.55 -0.72 0.41 0.00 0.00 173.24 173.74 1u4j s TYR 70 N 0.52 -0.44 0.08 2.43 1.13 -1.26 -1.19 117.35 118.62 1u4j s TYR 70 Ca -0.00 0.20 0.06 0.00 -1.41 0.00 0.00 57.07 55.92 1u4j s TYR 70 Cb -0.14 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.17 1u4j s TYR 70 CO 0.02 -0.81 -0.15 -0.08 -2.51 0.00 0.00 175.55 172.02 1u4j s THR 71 N -3.77 1.20 -0.15 -3.49 -1.32 -0.18 -4.95 115.64 103.00 1u4j s THR 71 Ca 0.02 -1.39 0.01 0.00 -1.21 0.00 0.00 61.69 59.12 1u4j s THR 71 Cb -0.00 -1.19 0.02 0.00 -1.51 0.00 0.00 72.50 69.82 1u4j s THR 71 CO -0.13 -0.24 -0.18 0.00 -2.21 0.00 0.00 174.62 171.87 1u4j n THR 73 N 4.46 1.13 -0.95 0.00 -1.04 0.15 -4.97 114.28 113.06 1u4j n THR 73 Ca -0.19 -4.62 -0.40 0.00 -2.04 0.00 0.00 64.05 56.80 1u4j n THR 73 Cb 0.51 -2.07 -0.07 0.00 -1.82 0.00 0.00 70.33 66.88 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 1.95 0.00 -0.65 -2.82 4.81 -1.26 0.87 118.16 121.06 1u4j n LYS 74 Ca 0.23 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.75 1u4j n LYS 74 Cb 0.39 -0.92 0.35 0.00 0.02 0.00 0.00 35.03 34.87 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 3.33 3.85 -3.22 1.64 -0.04 -1.26 -5.12 135.00 134.18 1u4j n PRO 75 Ca 0.25 -2.74 -0.39 0.00 -0.04 0.00 0.00 63.50 60.58 1u4j n PRO 75 Cb -0.03 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 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 -0.82 6.76 -0.11 3.54 0.01 0.25 -4.01 114.94 120.56 1u4j s ASN 76 Ca 0.49 0.92 -0.03 0.00 -0.71 0.00 0.00 52.86 53.53 1u4j s ASN 76 Cb 0.33 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 1u4j s ASN 76 CO 0.21 -0.06 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.09 1u4j s ILE 77 N 0.82 4.16 -0.09 0.60 1.01 -1.26 0.29 121.20 126.73 1u4j s ILE 77 Ca 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1u4j s ILE 77 Cb -0.16 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.55 1u4j s ILE 77 CO 0.12 0.56 -0.09 -0.89 0.00 0.00 0.00 174.94 174.64 1u4j s THR 78 N -0.37 1.00 -0.19 2.92 2.01 -0.47 -4.97 115.64 115.57 1u4j s THR 78 Ca 0.07 -0.33 -0.20 0.00 0.31 0.00 0.00 61.69 61.54 1u4j s THR 78 Cb -0.12 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1u4j s THR 78 CO 0.02 0.35 0.57 0.00 -0.69 0.00 0.00 174.62 174.87 1u4j h ASN 80 N 7.40 0.00 -3.89 0.00 2.35 -1.52 -3.49 115.58 116.43 1u4j h ASN 80 Ca -0.33 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.89 1u4j h ASN 80 Cb 1.15 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.59 1u4j h ASN 80 CO 0.76 0.50 0.64 -1.81 -1.65 0.00 0.00 177.43 175.86 1u4j s ASP 81 N -5.78 6.68 0.09 5.81 1.01 -1.26 -4.91 116.67 118.32 1u4j s ASP 81 Ca -0.02 2.70 0.00 0.00 0.71 0.00 0.00 52.55 55.94 1u4j s ASP 81 Cb 0.09 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1u4j s ASP 81 CO 0.80 -0.60 0.00 0.41 0.21 0.00 0.00 175.17 176.00 1u4j n THR 82 N 0.68 0.30 0.02 -1.27 -1.04 -1.26 -4.68 114.28 107.02 1u4j n THR 82 Ca 0.01 0.10 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 1u4j n THR 82 Cb 0.42 -1.04 -0.09 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.05 -0.83 8.00 0.02 -2.04 -3.39 113.55 115.26 1u4j h SER 83 Ca 0.00 -0.33 -0.38 0.00 -0.84 0.00 0.00 61.79 60.24 1u4j h SER 83 Cb 0.28 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1u4j h SER 83 CO 0.00 0.31 0.94 -0.62 -1.14 0.00 0.00 176.83 176.32 1u4j s ASP 84 N -5.49 5.51 0.26 3.07 -1.08 -1.26 -4.85 116.67 112.83 1u4j s ASP 84 Ca -0.15 -0.87 -0.02 0.00 -0.52 0.00 0.00 52.55 50.99 1u4j s ASP 84 Cb 0.03 -2.56 0.47 0.00 -1.46 0.00 0.00 42.92 39.40 1u4j s ASP 84 CO 0.65 -2.41 1.82 0.28 0.52 0.00 0.00 175.17 176.03 1u4j h SER 85 N 10.91 0.77 -0.18 -0.34 0.02 -1.97 -0.17 113.55 122.60 1u4j h SER 85 Ca 0.12 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1u4j h SER 85 Cb 1.01 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1u4j h SER 85 CO 1.27 0.42 0.09 0.00 -1.14 0.00 0.00 176.83 177.46 1u4j h ALA 87 N 0.96 0.16 -0.75 0.00 0.00 -1.73 -2.17 119.26 115.72 1u4j h ALA 87 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1u4j h ALA 87 Cb 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1u4j h ALA 87 CO -0.01 -0.42 0.33 -0.09 0.00 0.00 0.00 179.25 179.06 1u4j h ARG 88 N 0.09 1.10 -0.15 0.00 2.43 -0.88 -0.65 114.38 116.31 1u4j h ARG 88 Ca 0.08 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1u4j h ARG 88 Cb 0.08 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1u4j h ARG 88 CO -0.11 0.88 0.06 0.35 -1.51 0.00 0.00 179.97 179.64 1u4j h PHE 89 N 1.07 0.23 -0.37 2.20 3.57 -0.84 -2.15 116.94 120.66 1u4j h PHE 89 Ca 0.25 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 1u4j h PHE 89 Cb 0.17 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1u4j h PHE 89 CO 0.01 0.30 -0.37 0.97 -2.23 0.00 0.00 178.31 177.00 1u4j h ILE 90 N 0.10 1.28 -0.41 1.41 2.10 -1.34 -1.24 117.51 119.40 1u4j h ILE 90 Ca 0.05 -1.54 -0.04 0.00 1.08 0.00 0.00 64.86 64.41 1u4j h ILE 90 Cb 0.17 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 37.26 1u4j h ILE 90 CO -0.00 0.51 0.08 0.00 -1.08 0.00 0.00 178.15 177.66 1u4j h ASP 92 N 0.60 0.68 0.06 0.00 3.58 -1.00 0.08 116.42 120.42 1u4j h ASP 92 Ca 0.14 -0.38 0.03 0.00 0.42 0.00 0.00 57.03 57.24 1u4j h ASP 92 Cb 0.25 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 1u4j h ASP 92 CO -0.00 0.90 -0.36 0.00 -2.88 0.00 0.00 179.24 176.90 1u4j h ASP 94 N -0.55 0.97 -0.18 0.00 3.32 -1.13 -1.63 116.42 117.22 1u4j h ASP 94 Ca 0.04 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1u4j h ASP 94 Cb 0.61 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1u4j h ASP 94 CO -0.25 0.71 0.00 -0.09 -1.72 0.00 0.00 179.24 177.89 1u4j h ARG 95 N 1.14 0.31 -0.50 3.56 2.43 -0.76 0.62 114.38 121.19 1u4j h ARG 95 Ca 0.31 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1u4j h ARG 95 Cb -0.12 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 1u4j h ARG 95 CO -0.06 0.52 0.20 1.15 -1.51 0.00 0.00 179.97 180.27 1u4j h THR 96 N 0.07 0.87 0.09 0.20 2.02 -0.94 0.10 112.91 115.33 1u4j h THR 96 Ca 0.05 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1u4j h THR 96 Cb 0.37 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1u4j h THR 96 CO 0.01 0.07 -0.04 0.00 0.37 0.00 0.00 175.52 175.93 1u4j h ALA 97 N 1.31 -0.12 -0.67 6.16 0.00 -1.15 0.30 119.26 125.08 1u4j h ALA 97 Ca 0.23 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1u4j h ALA 97 Cb 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1u4j h ALA 97 CO -0.21 -0.45 0.26 0.00 0.00 0.00 0.00 179.25 178.85 1u4j h ALA 98 N 0.53 0.90 -0.41 0.00 0.00 -0.47 0.25 119.26 120.06 1u4j h ALA 98 Ca -0.01 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1u4j h ALA 98 Cb 0.30 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u4j h ALA 98 CO 0.02 -0.19 -0.35 0.82 0.00 0.00 0.00 179.25 179.55 1u4j h ILE 99 N 0.43 1.27 -0.47 0.00 2.04 -0.89 -2.35 117.51 117.54 1u4j h ILE 99 Ca 0.35 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1u4j h ILE 99 Cb 0.47 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1u4j h ILE 99 CO -0.34 0.51 0.27 0.00 0.00 0.00 0.00 178.15 178.59 1u4j h PHE 101 N 0.62 0.82 -0.64 0.00 0.04 -0.46 -1.34 116.94 115.99 1u4j h PHE 101 Ca 0.17 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 1u4j h PHE 101 Cb 0.03 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 1u4j h PHE 101 CO -0.02 0.49 0.24 0.00 -0.60 0.00 0.00 178.31 178.42 1u4j h ALA 102 N 1.27 0.83 0.00 2.45 0.00 -0.99 -3.05 119.26 119.77 1u4j h ALA 102 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u4j h ALA 102 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1u4j h ALA 102 CO -0.08 0.46 -0.17 0.77 0.00 0.00 0.00 179.25 180.23 1u4j h SER 103 N 0.90 0.00 -3.63 0.00 0.02 -1.16 -3.47 113.55 106.21 1u4j h SER 103 Ca 0.21 -0.02 -0.51 0.00 -0.84 0.00 0.00 61.79 60.63 1u4j h SER 103 Cb 0.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1u4j h SER 103 CO -0.01 0.01 0.11 0.00 -1.14 0.00 0.00 176.83 175.79 1u4j s ALA 104 N -3.18 3.38 0.54 3.77 0.00 -0.52 -5.04 121.76 120.70 1u4j s ALA 104 Ca 0.08 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 1u4j s ALA 104 Cb 0.09 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1u4j s ALA 104 CO 0.66 0.33 1.11 -1.25 0.00 0.00 0.00 175.76 176.61 1u4j s PRO 105 N -2.36 3.40 -0.47 0.00 0.04 -1.26 -4.93 135.00 129.43 1u4j s PRO 105 Ca 0.47 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 1u4j s PRO 105 Cb -0.14 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1u4j s PRO 105 CO 0.20 -0.80 0.31 -0.47 0.04 0.00 0.00 177.00 176.28 1u4j s TYR 106 N -1.86 3.49 -0.64 0.56 6.14 -1.26 -4.50 117.35 119.28 1u4j s TYR 106 Ca 0.71 -2.10 -0.25 0.00 0.64 0.00 0.00 57.07 56.07 1u4j s TYR 106 Cb -0.22 -3.40 0.04 0.00 0.42 0.00 0.00 41.96 38.80 1u4j s TYR 106 CO 0.27 -0.98 1.09 -0.80 0.64 0.00 0.00 175.55 175.77 1u4j s ASN 107 N 2.29 6.26 0.66 4.32 0.01 -1.26 -4.88 114.94 122.34 1u4j s ASN 107 Ca 0.07 -0.47 0.40 0.00 -0.71 0.00 0.00 52.86 52.16 1u4j s ASN 107 Cb -0.24 -2.49 2.22 0.00 0.41 0.00 0.00 41.25 41.15 1u4j s ASN 107 CO -0.02 -1.51 2.28 0.16 -1.51 0.00 0.00 177.10 176.50 1u4j h ILE 108 N 6.03 0.08 0.00 0.60 3.07 -1.98 0.49 117.51 125.81 1u4j h ILE 108 Ca -0.27 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.14 1u4j h ILE 108 Cb 1.06 0.94 -0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1u4j h ILE 108 CO 1.19 0.00 -0.01 0.78 -1.05 0.00 0.00 178.15 179.06 1u4j h ASN 109 N 0.00 0.00 -0.56 2.16 4.21 -2.02 -2.73 115.58 116.64 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 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1u4j h ASN 109 CO -0.00 0.01 0.00 0.59 -1.29 0.00 0.00 177.43 176.74 1u4j n ASN 110 N -3.11 4.57 -4.80 5.81 3.02 0.17 -4.90 115.26 116.02 1u4j n ASN 110 Ca -0.00 -2.53 -0.38 0.00 -0.03 0.00 0.00 54.58 51.64 1u4j n ASN 110 Cb 0.25 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.81 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 -1.98 4.59 -0.95 2.41 1.01 -1.03 -0.01 121.20 125.24 1u4j s ILE 111 Ca 0.48 1.35 -0.06 0.00 0.00 0.00 0.00 60.65 62.42 1u4j s ILE 111 Cb 0.32 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1u4j s ILE 111 CO 0.21 0.43 0.81 0.23 0.00 0.00 0.00 174.94 176.62 1u4j n MET 112 N 1.35 -1.75 0.00 2.79 2.81 -1.15 -4.89 117.12 116.29 1u4j n MET 112 Ca -0.06 1.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.84 1u4j n MET 112 Cb 0.50 -5.39 0.00 0.00 -0.71 0.00 0.00 33.22 27.62 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 -2.85 0.00 0.33 2.02 -5.35 -1.26 -4.86 119.36 107.39 1u4j n ILE 113 Ca -0.06 -0.18 0.19 0.00 -0.27 0.00 0.00 62.75 62.43 1u4j n ILE 113 Cb 0.58 1.22 1.01 0.00 -1.74 0.00 0.00 39.64 40.71 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 -0.02 7.28 4.64 -1.92 0.14 113.55 123.68 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 -0.24 0.00 -0.87 0.00 0.00 176.83 175.72 1u4j n ALA 115 N -1.97 2.99 -1.94 5.18 0.00 -1.26 -4.69 120.51 118.82 1u4j n ALA 115 Ca -0.02 -0.61 -0.27 0.00 0.00 0.00 0.00 53.44 52.54 1u4j n ALA 115 Cb 0.20 -0.66 0.11 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.95 4.28 0.60 0.00 1.04 0.50 -4.95 113.70 113.22 1u4j s SER 116 Ca 0.19 0.31 0.30 0.00 0.48 0.00 0.00 55.95 57.22 1u4j s SER 116 Cb 0.16 -0.74 1.68 0.00 0.10 0.00 0.00 66.02 67.21 1u4j s SER 116 CO 0.38 -1.96 2.06 0.00 0.98 0.00 0.00 173.24 174.71 1u4j h THR 117 N -0.90 0.37 -0.75 2.02 1.03 -1.88 -2.95 112.91 109.85 1u4j h THR 117 Ca -0.43 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.04 1u4j h THR 117 Cb 1.29 0.79 -0.06 0.00 -1.07 0.00 0.00 68.15 69.10 1u4j h THR 117 CO 0.52 0.00 0.43 0.28 -0.01 0.00 0.00 175.52 176.73 1u4j h SER 118 N 0.00 0.63 -0.11 0.00 0.02 -1.93 -2.27 113.55 109.89 1u4j h SER 118 Ca 0.09 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1u4j h SER 118 Cb 0.59 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1u4j h SER 118 CO -0.00 0.39 0.00 0.00 -1.14 0.00 0.00 176.83 176.08