#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k32 s ASP 5 N 0.00 0.82 -0.01 -1.43 1.11 -1.26 -4.53 116.67 111.37 3k32 s ASP 5 Ca 0.00 -0.12 0.02 0.00 0.18 0.00 0.00 52.55 52.62 3k32 s ASP 5 Cb 0.00 -0.17 -0.00 0.00 1.07 0.00 0.00 42.92 43.81 3k32 s ASP 5 CO 0.00 0.05 -0.06 0.54 1.18 0.00 0.00 175.17 176.88 3k32 s VAL 6 N 0.10 0.47 -0.22 -1.27 0.11 -0.71 -4.74 120.40 114.15 3k32 s VAL 6 Ca -0.01 -0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 3k32 s VAL 6 Cb -0.06 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3k32 s VAL 6 CO -0.00 0.15 0.11 -1.00 -3.33 0.00 0.00 175.10 171.03 3k32 s HIS 7 N 0.01 3.26 -0.20 1.54 3.76 -0.96 -0.35 115.29 122.35 3k32 s HIS 7 Ca 0.00 0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.98 3k32 s HIS 7 Cb -0.04 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.46 3k32 s HIS 7 CO -0.00 0.05 -0.11 0.08 -0.85 0.00 0.00 174.74 173.90 3k32 s VAL 8 N 0.86 2.77 0.22 -0.90 1.01 0.73 -1.81 120.40 123.28 3k32 s VAL 8 Ca 0.06 -0.70 -0.32 0.00 0.00 0.00 0.00 61.98 61.02 3k32 s VAL 8 Cb -0.13 -2.23 -0.12 0.00 0.00 0.00 0.00 36.38 33.90 3k32 s VAL 8 CO 0.03 0.47 1.71 0.18 0.00 0.00 0.00 175.10 177.49 3k32 n LEU 9 N 4.72 4.05 -3.70 3.92 4.77 0.41 -0.03 117.00 131.13 3k32 n LEU 9 Ca -0.19 1.07 -0.19 0.00 -0.03 0.00 0.00 56.01 56.67 3k32 n LEU 9 Cb 0.50 -1.58 -0.17 0.00 -2.33 0.00 0.00 43.42 39.84 3k32 n LEU 9 CO 0.28 0.18 -0.35 0.12 -1.33 0.00 0.00 177.39 176.29 3k32 s PHE 10 N 1.03 0.08 -0.13 -1.77 5.36 0.16 -4.31 117.98 118.40 3k32 s PHE 10 Ca 0.74 0.20 0.17 0.00 -0.96 0.00 0.00 56.93 57.08 3k32 s PHE 10 Cb -0.50 -0.43 -0.24 0.00 -0.34 0.00 0.00 43.02 41.51 3k32 s PHE 10 CO 0.34 -0.17 0.37 -1.13 -1.46 0.00 0.00 175.22 173.17 3k32 n SER 11 N 4.96 0.36 0.00 6.13 3.41 -1.26 -4.35 113.62 122.87 3k32 n SER 11 Ca -0.11 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3k32 n SER 11 Cb 0.50 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 3k32 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k32 n GLY 12 N 1.61 2.55 3.68 5.00 0.00 -1.26 -2.55 105.19 114.22 3k32 n GLY 12 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3k32 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k32 s GLY 13 N -2.70 1.65 0.27 -0.02 0.00 -1.26 -4.60 107.32 100.66 3k32 s GLY 13 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 3k32 s GLY 13 CO 0.00 0.73 1.83 0.07 0.00 0.00 0.00 173.10 175.73 3k32 h LYS 14 N -1.72 0.91 -0.05 2.90 2.10 -1.95 -1.09 116.57 117.67 3k32 h LYS 14 Ca -0.47 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.12 3k32 h LYS 14 Cb 1.27 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3k32 h LYS 14 CO 0.48 0.61 0.02 -0.44 -2.00 0.00 0.00 179.45 178.11 3k32 h ASP 15 N 0.94 0.08 -1.01 7.07 3.32 -1.96 -0.60 116.42 124.26 3k32 h ASP 15 Ca 0.46 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.37 3k32 h ASP 15 Cb 0.43 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 3k32 h ASP 15 CO -0.26 0.23 0.66 -1.28 -1.72 0.00 0.00 179.24 176.88 3k32 h SER 16 N -0.09 1.11 -0.54 6.45 0.87 -1.82 -1.34 113.55 118.20 3k32 h SER 16 Ca 0.02 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3k32 h SER 16 Cb 0.18 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 3k32 h SER 16 CO -0.00 0.77 0.28 0.28 -0.53 0.00 0.00 176.83 177.63 3k32 h SER 17 N 1.29 0.41 -0.80 6.23 0.02 -1.01 -2.61 113.55 117.09 3k32 h SER 17 Ca 0.39 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 3k32 h SER 17 Cb -0.03 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.39 3k32 h SER 17 CO -0.12 0.28 0.47 -0.07 -1.14 0.00 0.00 176.83 176.25 3k32 h LEU 18 N 0.54 0.71 -1.08 5.07 3.38 -0.04 -1.14 115.31 122.76 3k32 h LEU 18 Ca 0.24 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3k32 h LEU 18 Cb 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3k32 h LEU 18 CO -0.16 0.44 0.20 0.77 0.09 0.00 0.00 178.44 179.78 3k32 h SER 19 N 0.83 0.78 0.09 -0.43 4.64 -0.98 -1.54 113.55 116.96 3k32 h SER 19 Ca 0.36 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3k32 h SER 19 Cb 0.24 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3k32 h SER 19 CO -0.20 0.73 -0.04 0.00 -0.87 0.00 0.00 176.83 176.44 3k32 h ALA 20 N 1.38 -0.12 -0.99 5.18 0.00 -1.07 -2.46 119.26 121.17 3k32 h ALA 20 Ca 0.19 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.11 3k32 h ALA 20 Cb 0.22 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 3k32 h ALA 20 CO -0.01 -0.43 0.61 0.28 0.00 0.00 0.00 179.25 179.69 3k32 h VAL 21 N -0.40 0.80 -0.37 0.00 2.07 -1.08 -0.40 116.25 116.87 3k32 h VAL 21 Ca -0.01 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3k32 h VAL 21 Cb 0.33 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3k32 h VAL 21 CO 0.02 0.16 0.03 0.40 0.02 0.00 0.00 177.57 178.19 3k32 h ILE 22 N 0.86 1.25 -0.41 4.57 2.04 -1.12 -0.71 117.51 123.99 3k32 h ILE 22 Ca 0.54 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3k32 h ILE 22 Cb 0.70 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3k32 h ILE 22 CO -0.33 0.31 0.21 -0.07 0.00 0.00 0.00 178.15 178.27 3k32 h LEU 23 N 0.46 0.52 0.19 1.44 3.38 -0.90 -1.33 115.31 119.07 3k32 h LEU 23 Ca 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3k32 h LEU 23 Cb 0.42 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3k32 h LEU 23 CO 0.01 0.48 -0.29 0.50 0.09 0.00 0.00 178.44 179.23 3k32 h LYS 24 N 0.53 -0.53 -1.06 1.13 1.63 -0.94 0.41 116.57 117.73 3k32 h LYS 24 Ca 0.14 0.04 0.29 0.00 -0.85 0.00 0.00 60.65 60.27 3k32 h LYS 24 Cb 0.08 0.12 -0.12 0.00 -0.60 0.00 0.00 32.23 31.72 3k32 h LYS 24 CO -0.02 -0.35 0.66 0.87 -3.45 0.00 0.00 179.45 177.15 3k32 h LYS 25 N -0.55 0.38 -0.00 1.90 1.79 -0.97 0.31 116.57 119.42 3k32 h LYS 25 Ca 0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3k32 h LYS 25 Cb 0.54 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3k32 h LYS 25 CO -0.12 0.25 -0.00 1.28 -1.08 0.00 0.00 179.45 179.77 3k32 n LEU 26 N -4.78 0.17 0.00 2.94 4.77 0.07 -4.88 117.00 115.29 3k32 n LEU 26 Ca 0.29 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3k32 n LEU 26 Cb 0.94 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 3k32 n LEU 26 CO 0.20 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3k32 n GLY 27 N 1.06 1.02 3.95 -0.72 0.00 0.10 -5.06 105.19 105.54 3k32 n GLY 27 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 3k32 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k32 s TYR 28 N -2.00 3.37 -0.46 1.61 2.02 -0.83 -4.83 117.35 116.23 3k32 s TYR 28 Ca 0.00 0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 56.79 3k32 s TYR 28 Cb 0.00 -1.98 0.10 0.00 -0.40 0.00 0.00 41.96 39.68 3k32 s TYR 28 CO 0.00 0.02 0.35 1.21 -1.57 0.00 0.00 175.55 175.55 3k32 s ASN 29 N -4.09 5.84 -0.51 2.29 2.47 -1.26 -4.35 114.94 115.33 3k32 s ASN 29 Ca 0.42 -1.62 -0.26 0.00 0.42 0.00 0.00 52.86 51.82 3k32 s ASN 29 Cb -0.10 -2.07 0.03 0.00 -1.45 0.00 0.00 41.25 37.67 3k32 s ASN 29 CO 0.35 -0.65 1.00 -2.16 -3.72 0.00 0.00 177.10 171.92 3k32 s PRO 30 N 1.48 3.50 -0.42 0.43 0.05 -1.26 -1.74 135.00 137.03 3k32 s PRO 30 Ca 0.04 0.11 -0.23 0.00 0.05 0.00 0.00 61.00 60.97 3k32 s PRO 30 Cb -0.25 -3.98 0.02 0.00 0.05 0.00 0.00 34.50 30.34 3k32 s PRO 30 CO 0.02 -1.40 0.78 -1.01 0.05 0.00 0.00 177.00 175.44 3k32 s HIS 31 N 4.11 3.03 0.15 0.56 3.76 0.53 -4.22 115.29 123.21 3k32 s HIS 31 Ca 0.38 0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 55.27 3k32 s HIS 31 Cb -0.10 -3.57 -0.07 0.00 1.11 0.00 0.00 32.58 29.96 3k32 s HIS 31 CO 0.25 -0.90 1.10 -0.51 -0.85 0.00 0.00 174.74 173.83 3k32 s LEU 32 N 3.21 4.47 -0.06 0.89 1.02 0.73 -0.20 118.68 128.74 3k32 s LEU 32 Ca 0.30 2.04 0.04 0.00 0.02 0.00 0.00 54.13 56.53 3k32 s LEU 32 Cb -0.12 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.49 3k32 s LEU 32 CO 0.21 -0.25 -0.17 -0.63 0.02 0.00 0.00 176.35 175.53 3k32 s ILE 33 N -0.00 1.44 -0.00 -0.59 -1.09 0.96 -0.09 121.20 121.83 3k32 s ILE 33 Ca 0.51 -0.70 0.07 0.00 -2.23 0.00 0.00 60.65 58.30 3k32 s ILE 33 Cb -0.29 -1.26 -0.02 0.00 -1.58 0.00 0.00 42.46 39.32 3k32 s ILE 33 CO 0.34 0.42 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.36 3k32 s THR 34 N 0.25 1.71 -0.07 2.92 2.01 -0.23 0.38 115.64 122.61 3k32 s THR 34 Ca -0.09 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 3k32 s THR 34 Cb -0.14 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3k32 s THR 34 CO 0.04 0.43 0.15 -0.63 -0.69 0.00 0.00 174.62 173.92 3k32 s ILE 35 N -0.56 5.42 -0.04 1.82 1.01 -1.26 -0.91 121.20 126.68 3k32 s ILE 35 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.79 3k32 s ILE 35 Cb -0.08 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.97 3k32 s ILE 35 CO -0.00 0.50 -0.07 0.21 0.00 0.00 0.00 174.94 175.58 3k32 s ASN 36 N -1.38 1.07 -0.15 3.58 3.84 -0.18 -4.88 114.94 116.85 3k32 s ASN 36 Ca 0.20 -0.16 0.17 0.00 0.21 0.00 0.00 52.86 53.28 3k32 s ASN 36 Cb -0.12 -0.41 0.75 0.00 -0.55 0.00 0.00 41.25 40.92 3k32 s ASN 36 CO 0.10 0.01 1.66 0.49 -2.79 0.00 0.00 177.10 176.56 3k32 n PHE 37 N 3.67 1.66 -2.10 0.43 3.01 -1.26 -0.67 117.46 122.19 3k32 n PHE 37 Ca -0.22 -0.63 -0.16 0.00 1.01 0.00 0.00 57.45 57.45 3k32 n PHE 37 Cb 0.53 -0.32 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 3k32 n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k32 n GLY 38 N 1.01 0.18 0.09 1.37 0.00 -1.26 -3.57 105.19 103.01 3k32 n GLY 38 Ca 0.26 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3k32 n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k32 h VAL 39 N 0.00 0.58 -3.48 1.61 2.07 -1.94 -3.50 116.25 111.59 3k32 h VAL 39 Ca -0.38 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.34 3k32 h VAL 39 Cb 1.24 1.37 -0.16 0.00 -1.52 0.00 0.00 31.29 32.22 3k32 h VAL 39 CO 0.47 0.20 -0.29 0.27 0.02 0.00 0.00 177.57 178.24 3k32 s ILE 40 N -2.29 0.10 -1.11 4.57 -4.36 -1.26 -5.08 121.20 111.77 3k32 s ILE 40 Ca -0.22 -0.83 -0.12 0.00 -0.26 0.00 0.00 60.65 59.22 3k32 s ILE 40 Cb 0.04 -1.05 -0.07 0.00 1.25 0.00 0.00 42.46 42.63 3k32 s ILE 40 CO 0.44 -0.46 2.26 -0.81 0.24 0.00 0.00 174.94 176.62 3k32 n PRO 41 N 0.37 2.40 0.00 0.37 -0.04 -1.26 -4.69 135.00 132.15 3k32 n PRO 41 Ca -0.18 -1.87 0.15 0.00 -0.04 0.00 0.00 63.50 61.57 3k32 n PRO 41 Cb 0.60 -2.75 0.78 0.00 -0.04 0.00 0.00 33.50 32.09 3k32 n PRO 41 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k32 n SER 42 N 5.11 0.30 0.06 3.54 3.41 -1.26 -3.69 113.62 121.09 3k32 n SER 42 Ca 0.54 -0.80 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3k32 n SER 42 Cb 0.25 -0.07 0.50 0.00 -0.26 0.00 0.00 64.21 64.63 3k32 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k32 n TYR 43 N -0.89 0.49 -0.12 7.33 0.18 -1.26 -4.12 117.16 118.76 3k32 n TYR 43 Ca 0.19 0.15 -0.08 0.00 1.88 0.00 0.00 57.90 60.04 3k32 n TYR 43 Cb 0.21 -0.74 -0.02 0.00 -0.38 0.00 0.00 39.34 38.40 3k32 n TYR 43 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 3k32 h LYS 44 N 0.00 -0.26 -0.47 -3.48 6.56 -1.97 0.08 116.57 117.02 3k32 h LYS 44 Ca 0.00 0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.70 3k32 h LYS 44 Cb 0.60 0.06 -0.10 0.00 -0.57 0.00 0.00 32.23 32.22 3k32 h LYS 44 CO 0.00 -0.18 -0.25 1.25 -2.06 0.00 0.00 179.45 178.21 3k32 h LEU 45 N -0.27 -0.85 -1.39 2.94 7.12 -1.90 0.05 115.31 121.01 3k32 h LEU 45 Ca 0.17 0.18 -0.06 0.00 0.13 0.00 0.00 57.88 58.30 3k32 h LEU 45 Cb 0.56 0.44 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 3k32 h LEU 45 CO -0.56 -0.27 -0.23 0.00 -0.13 0.00 0.00 178.44 177.26 3k32 h ALA 46 N 1.10 1.49 0.33 1.25 0.00 -1.37 -0.61 119.26 121.44 3k32 h ALA 46 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k32 h ALA 46 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k32 h ALA 46 CO -0.56 0.37 -0.16 1.49 0.00 0.00 0.00 179.25 180.39 3k32 h GLU 47 N 0.11 -0.42 -0.18 0.00 4.81 0.83 -0.38 114.58 119.35 3k32 h GLU 47 Ca 0.02 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3k32 h GLU 47 Cb 0.47 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3k32 h GLU 47 CO 0.03 -0.26 0.10 0.93 -0.73 0.00 0.00 179.01 179.08 3k32 h GLU 48 N -0.46 0.25 -0.73 1.92 5.08 -0.61 -2.39 114.58 117.64 3k32 h GLU 48 Ca -0.04 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.40 3k32 h GLU 48 Cb 0.35 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 3k32 h GLU 48 CO 0.07 0.25 0.33 1.15 -1.00 0.00 0.00 179.01 179.81 3k32 h THR 49 N 0.18 0.75 -1.01 1.13 2.02 -1.03 0.96 112.91 115.92 3k32 h THR 49 Ca 0.06 -0.18 0.18 0.00 0.77 0.00 0.00 66.41 67.24 3k32 h THR 49 Cb 0.08 0.19 -0.10 0.00 -1.74 0.00 0.00 68.15 66.57 3k32 h THR 49 CO -0.01 0.09 0.62 0.00 0.37 0.00 0.00 175.52 176.59 3k32 h ALA 50 N 1.48 1.64 0.17 6.16 0.00 -0.56 -0.07 119.26 128.08 3k32 h ALA 50 Ca 0.38 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3k32 h ALA 50 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k32 h ALA 50 CO -0.33 0.01 -0.08 0.87 0.00 0.00 0.00 179.25 179.72 3k32 h LYS 51 N 0.81 -0.21 -0.90 0.00 1.57 -0.54 0.14 116.57 117.43 3k32 h LYS 51 Ca 0.56 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.58 3k32 h LYS 51 Cb 0.82 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.05 3k32 h LYS 51 CO -0.36 0.21 0.40 0.82 -0.57 0.00 0.00 179.45 179.95 3k32 h ILE 52 N -0.76 0.47 0.00 1.86 2.04 -1.20 0.95 117.51 120.86 3k32 h ILE 52 Ca -0.02 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3k32 h ILE 52 Cb 0.52 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3k32 h ILE 52 CO 0.04 0.07 -0.16 -0.07 0.00 0.00 0.00 178.15 178.03 3k32 h LEU 53 N 0.40 0.00 0.45 1.44 4.07 -0.88 -3.43 115.31 117.36 3k32 h LEU 53 Ca 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.46 3k32 h LEU 53 Cb 1.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 3k32 h LEU 53 CO -0.53 0.16 -0.09 0.61 -1.08 0.00 0.00 178.44 177.52 3k32 n GLY 54 N -0.27 0.28 3.64 0.83 0.00 0.33 -5.04 105.19 104.95 3k32 n GLY 54 Ca -0.01 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 3k32 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k32 s PHE 55 N -2.17 2.76 0.33 1.61 0.08 0.28 -5.01 117.98 115.87 3k32 s PHE 55 Ca 0.00 -0.18 -0.28 0.00 0.12 0.00 0.00 56.93 56.59 3k32 s PHE 55 Cb 0.00 -1.31 -0.10 0.00 -0.57 0.00 0.00 43.02 41.04 3k32 s PHE 55 CO 0.00 0.54 1.20 0.15 -0.10 0.00 0.00 175.22 177.01 3k32 s LYS 56 N -3.09 4.38 -0.04 0.44 1.02 -1.26 -4.43 119.74 116.76 3k32 s LYS 56 Ca 0.28 1.99 0.01 0.00 0.02 0.00 0.00 55.97 58.27 3k32 s LYS 56 Cb -0.08 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 3k32 s LYS 56 CO 0.18 -0.08 -0.05 -1.58 -0.92 0.00 0.00 175.35 172.90 3k32 s HIS 57 N -1.21 0.81 -0.06 3.18 2.46 -1.26 -0.19 115.29 119.02 3k32 s HIS 57 Ca 0.49 -0.23 0.05 0.00 0.47 0.00 0.00 55.06 55.84 3k32 s HIS 57 Cb -0.35 -0.69 -0.02 0.00 -0.13 0.00 0.00 32.58 31.39 3k32 s HIS 57 CO 0.45 -0.19 -0.20 0.15 -2.47 0.00 0.00 174.74 172.49 3k32 s LYS 58 N 0.83 2.54 -0.30 2.88 1.02 0.88 -4.97 119.74 122.61 3k32 s LYS 58 Ca -0.12 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 3k32 s LYS 58 Cb -0.14 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3k32 s LYS 58 CO 0.01 0.49 0.20 0.54 -0.92 0.00 0.00 175.35 175.67 3k32 s VAL 59 N -0.41 5.25 -0.21 3.17 0.11 -1.26 -1.07 120.40 125.98 3k32 s VAL 59 Ca 0.04 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 3k32 s VAL 59 Cb -0.12 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 3k32 s VAL 59 CO 0.02 0.16 0.08 -0.63 -3.33 0.00 0.00 175.10 171.40 3k32 s ILE 60 N 1.74 4.74 -0.19 7.04 1.01 -0.09 -4.95 121.20 130.50 3k32 s ILE 60 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 3k32 s ILE 60 Cb -0.16 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 3k32 s ILE 60 CO 0.10 0.41 0.22 -0.89 0.00 0.00 0.00 174.94 174.78 3k32 s THR 61 N 0.80 5.35 0.42 2.92 2.01 -1.26 -1.01 115.64 124.87 3k32 s THR 61 Ca 0.04 0.37 0.07 0.00 0.31 0.00 0.00 61.69 62.48 3k32 s THR 61 Cb -0.13 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 3k32 s THR 61 CO 0.02 0.40 0.08 -0.76 -0.69 0.00 0.00 174.62 173.67 3k32 s LEU 62 N 0.52 2.93 0.11 4.42 1.02 0.16 -4.96 118.68 122.88 3k32 s LEU 62 Ca 0.12 -1.28 -0.31 0.00 0.02 0.00 0.00 54.13 52.69 3k32 s LEU 62 Cb -0.12 -1.09 -0.07 0.00 0.02 0.00 0.00 46.19 44.93 3k32 s LEU 62 CO 0.02 -0.51 1.26 -0.62 0.02 0.00 0.00 176.35 176.51 3k32 s ASP 63 N -3.80 7.00 0.48 2.29 -1.08 -1.26 -4.36 116.67 115.94 3k32 s ASP 63 Ca 0.36 2.17 0.28 0.00 -0.52 0.00 0.00 52.55 54.84 3k32 s ASP 63 Cb 0.07 -2.59 1.36 0.00 -1.46 0.00 0.00 42.92 40.30 3k32 s ASP 63 CO 0.19 -0.50 1.80 -0.09 0.52 0.00 0.00 175.17 177.09 3k32 h ARG 64 N 6.42 0.16 -0.77 4.34 2.43 -1.94 -2.51 114.38 122.51 3k32 h ARG 64 Ca -0.42 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 58.91 3k32 h ARG 64 Cb 1.21 -0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.62 3k32 h ARG 64 CO 0.81 0.10 0.23 0.87 -1.51 0.00 0.00 179.97 180.48 3k32 h LYS 65 N 0.16 0.30 -0.66 0.20 1.79 -1.90 -1.49 116.57 114.97 3k32 h LYS 65 Ca 0.56 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 59.12 3k32 h LYS 65 Cb 1.87 -0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 32.33 3k32 h LYS 65 CO -0.13 0.20 -0.37 0.82 -1.08 0.00 0.00 179.45 178.90 3k32 h ILE 66 N 0.31 0.12 0.00 1.86 2.04 -1.85 0.35 117.51 120.35 3k32 h ILE 66 Ca 0.44 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.29 3k32 h ILE 66 Cb 0.77 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3k32 h ILE 66 CO -0.50 0.00 -0.08 -0.37 0.00 0.00 0.00 178.15 177.19 3k32 h VAL 67 N -0.15 0.16 -0.43 1.67 -1.51 -1.51 -1.08 116.25 113.40 3k32 h VAL 67 Ca 0.24 -1.01 -0.10 0.00 -1.23 0.00 0.00 66.70 64.61 3k32 h VAL 67 Cb 0.56 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 3k32 h VAL 67 CO -0.74 0.08 -0.10 -0.33 -1.23 0.00 0.00 177.57 175.25 3k32 h GLU 68 N 0.00 0.83 -0.59 5.19 4.39 -0.24 0.12 114.58 124.28 3k32 h GLU 68 Ca -0.00 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 3k32 h GLU 68 Cb 0.87 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 3k32 h GLU 68 CO 0.01 0.95 0.22 -0.22 -1.16 0.00 0.00 179.01 178.81 3k32 h LYS 69 N 0.66 0.90 -0.15 2.33 3.64 -0.07 0.59 116.57 124.47 3k32 h LYS 69 Ca 0.11 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3k32 h LYS 69 Cb 0.64 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3k32 h LYS 69 CO 0.04 0.78 0.03 0.00 -2.27 0.00 0.00 179.45 178.03 3k32 h ALA 70 N 1.08 0.14 -0.36 5.00 0.00 -1.04 -2.09 119.26 121.99 3k32 h ALA 70 Ca 0.20 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3k32 h ALA 70 Cb 0.23 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3k32 h ALA 70 CO -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 179.25 178.83 3k32 h ALA 71 N 1.11 0.33 0.00 0.00 0.00 -0.53 0.22 119.26 120.40 3k32 h ALA 71 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k32 h ALA 71 Cb 0.06 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3k32 h ALA 71 CO -0.09 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 178.52 3k32 n ASP 72 N -5.17 0.00 0.00 0.00 8.00 0.18 -1.73 116.55 117.83 3k32 n ASP 72 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3k32 n ASP 72 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3k32 n ASP 72 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3k32 n ILE 74 N 0.08 0.00 0.23 0.53 2.08 0.79 -1.05 119.36 122.02 3k32 n ILE 74 Ca 0.00 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.40 3k32 n ILE 74 Cb 0.00 0.00 0.55 0.00 -0.75 0.00 0.00 39.64 39.44 3k32 n ILE 74 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3k32 h ILE 75 N 0.00 0.76 0.00 1.39 2.04 -1.58 0.79 117.51 120.91 3k32 h ILE 75 Ca 0.00 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3k32 h ILE 75 Cb 0.00 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3k32 h ILE 75 CO 0.00 0.22 0.00 1.21 0.00 0.00 0.00 178.15 179.58 3k32 n GLU 76 N -3.70 0.00 0.03 2.37 0.00 -0.22 -4.01 120.64 115.11 3k32 n GLU 76 Ca -0.01 0.43 0.02 0.00 0.00 0.00 0.00 57.16 57.59 3k32 n GLU 76 Cb 0.34 -0.93 0.08 0.00 0.00 0.00 0.00 31.44 30.93 3k32 n GLU 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3k32 n HIS 77 N -2.06 0.10 0.00 4.31 8.25 -1.24 -4.77 115.22 119.81 3k32 n HIS 77 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3k32 n HIS 77 Cb 0.00 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.63 3k32 n HIS 77 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3k32 n LYS 78 N -1.52 0.00 -4.13 -0.41 5.02 0.27 -4.91 118.16 112.48 3k32 n LYS 78 Ca -0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3k32 n LYS 78 Cb 0.12 -2.99 -0.10 0.00 -0.02 0.00 0.00 35.03 32.04 3k32 n LYS 78 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3k32 s TYR 79 N -1.54 0.73 0.23 2.13 -0.85 -1.22 -4.93 117.35 111.90 3k32 s TYR 79 Ca 0.00 -0.90 0.09 0.00 -0.52 0.00 0.00 57.07 55.73 3k32 s TYR 79 Cb 0.00 -0.45 0.19 0.00 0.38 0.00 0.00 41.96 42.07 3k32 s TYR 79 CO 0.00 -0.21 1.51 -1.35 -1.52 0.00 0.00 175.55 173.98 3k32 h PRO 80 N 3.25 0.03 -0.83 -3.49 0.11 -1.89 -3.39 132.00 125.80 3k32 h PRO 80 Ca -0.35 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.81 3k32 h PRO 80 Cb 1.16 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 3k32 h PRO 80 CO 0.62 0.74 -0.47 0.41 -0.21 0.00 0.00 178.00 179.09 3k32 n GLY 81 N 0.56 -2.09 0.25 -0.55 0.00 -1.26 -0.78 105.19 101.32 3k32 n GLY 81 Ca -0.01 0.98 0.01 0.00 0.00 0.00 0.00 46.02 46.99 3k32 n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k32 h PRO 82 N 0.00 0.37 -0.12 1.61 0.11 -2.00 -1.25 132.00 130.73 3k32 h PRO 82 Ca 0.15 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3k32 h PRO 82 Cb 0.36 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3k32 h PRO 82 CO -0.78 0.48 0.01 0.00 -0.21 0.00 0.00 178.00 177.49 3k32 h ALA 83 N 1.56 0.16 -0.09 -0.75 0.00 -1.21 -0.92 119.26 118.00 3k32 h ALA 83 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k32 h ALA 83 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k32 h ALA 83 CO 0.02 -0.17 0.05 0.82 0.00 0.00 0.00 179.25 179.98 3k32 h ILE 84 N -0.05 1.05 -0.32 0.00 1.08 -1.09 0.16 117.51 118.34 3k32 h ILE 84 Ca 0.03 -0.12 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 3k32 h ILE 84 Cb 0.33 0.97 -0.08 0.00 -3.07 0.00 0.00 36.82 34.97 3k32 h ILE 84 CO 0.00 0.04 -0.21 1.56 -0.69 0.00 0.00 178.15 178.86 3k32 h GLN 85 N 0.09 -0.16 -0.28 2.37 1.08 -1.19 0.01 115.11 117.03 3k32 h GLN 85 Ca 0.03 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 3k32 h GLN 85 Cb 0.02 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 3k32 h GLN 85 CO -0.01 -0.11 -0.05 -0.92 -0.95 0.00 0.00 178.83 176.79 3k32 h TYR 86 N -0.17 -0.12 -0.74 2.96 3.20 -0.75 0.12 116.97 121.47 3k32 h TYR 86 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3k32 h TYR 86 Cb 0.42 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 3k32 h TYR 86 CO -0.40 -0.10 0.49 0.28 -1.64 0.00 0.00 178.16 176.78 3k32 h VAL 87 N 0.02 1.18 -0.21 1.81 2.07 -0.27 -2.33 116.25 118.51 3k32 h VAL 87 Ca 0.13 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3k32 h VAL 87 Cb 0.20 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3k32 h VAL 87 CO -0.27 0.18 -0.12 -0.74 0.02 0.00 0.00 177.57 176.64 3k32 h HIS 88 N 0.99 0.53 -0.36 1.57 -0.00 -0.33 -1.85 115.15 115.71 3k32 h HIS 88 Ca 0.28 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3k32 h HIS 88 Cb -0.09 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.18 3k32 h HIS 88 CO -0.02 0.75 0.21 0.87 -0.00 0.00 0.00 177.93 179.74 3k32 h LYS 89 N 0.15 0.48 -0.35 5.26 6.56 -0.74 -1.67 116.57 126.27 3k32 h LYS 89 Ca 0.04 -0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.64 3k32 h LYS 89 Cb 0.63 -0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 32.14 3k32 h LYS 89 CO 0.03 0.37 0.06 1.15 -2.06 0.00 0.00 179.45 179.00 3k32 h THR 90 N 0.46 0.81 0.55 -0.16 2.02 -1.39 -1.60 112.91 113.59 3k32 h THR 90 Ca 0.13 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3k32 h THR 90 Cb 0.01 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3k32 h THR 90 CO -0.02 0.03 -0.39 0.58 0.37 0.00 0.00 175.52 176.08 3k32 h VAL 91 N 0.18 0.00 -0.85 3.16 2.07 -1.08 -2.60 116.25 117.12 3k32 h VAL 91 Ca 0.17 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 3k32 h VAL 91 Cb 0.20 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.83 3k32 h VAL 91 CO -0.23 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 176.86 3k32 h LEU 92 N -0.90 -1.54 -0.82 2.57 3.38 -1.17 0.62 115.31 117.45 3k32 h LEU 92 Ca -0.07 0.29 0.16 0.00 0.09 0.00 0.00 57.88 58.34 3k32 h LEU 92 Cb 0.74 0.75 -0.15 0.00 0.09 0.00 0.00 40.66 42.09 3k32 h LEU 92 CO 0.04 -0.29 -0.24 -0.33 0.09 0.00 0.00 178.44 177.70 3k32 h GLU 93 N -0.07 -0.02 -0.45 1.13 4.39 -1.22 0.28 114.58 118.63 3k32 h GLU 93 Ca 0.26 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 3k32 h GLU 93 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3k32 h GLU 93 CO -0.87 -0.01 -0.11 0.82 -1.16 0.00 0.00 179.01 177.67 3k32 h ILE 94 N -0.02 1.26 0.00 3.13 2.04 -0.54 -3.09 117.51 120.29 3k32 h ILE 94 Ca 0.37 -1.19 -0.13 0.00 1.00 0.00 0.00 64.86 64.91 3k32 h ILE 94 Cb 0.60 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3k32 h ILE 94 CO -0.85 0.41 -0.64 -0.07 0.00 0.00 0.00 178.15 177.01 3k32 h LEU 95 N 0.73 0.00 -1.22 1.44 3.38 0.69 -2.70 115.31 117.63 3k32 h LEU 95 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3k32 h LEU 95 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3k32 h LEU 95 CO 0.04 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.21 3k32 h ALA 96 N 1.36 1.00 -0.01 1.53 0.00 -0.50 -1.07 119.26 121.58 3k32 h ALA 96 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3k32 h ALA 96 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3k32 h ALA 96 CO 0.08 0.00 -0.81 -0.44 0.00 0.00 0.00 179.25 178.08 3k32 h ASP 97 N 0.00 0.18 0.00 0.00 3.32 -1.53 -3.36 116.42 115.02 3k32 h ASP 97 Ca 0.00 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 3k32 h ASP 97 Cb 0.17 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3k32 h ASP 97 CO 0.00 0.91 -1.89 -0.62 -1.72 0.00 0.00 179.24 175.93 3k32 n GLU 98 N -3.67 0.81 -4.66 3.56 1.02 -0.64 -4.99 120.64 112.07 3k32 n GLU 98 Ca -0.03 -0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 56.78 3k32 n GLU 98 Cb 0.77 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 30.63 3k32 n GLU 98 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3k32 s TYR 99 N -2.93 1.29 -0.70 -0.32 2.02 -0.50 -5.03 117.35 111.18 3k32 s TYR 99 Ca -0.07 -0.25 0.18 0.00 -0.37 0.00 0.00 57.07 56.57 3k32 s TYR 99 Cb 0.09 -0.83 -0.21 0.00 -0.40 0.00 0.00 41.96 40.61 3k32 s TYR 99 CO 0.70 -0.02 0.71 -1.13 -1.57 0.00 0.00 175.55 174.23 3k32 n SER 100 N 2.71 0.83 -3.89 2.29 3.41 -1.26 -4.40 113.62 113.31 3k32 n SER 100 Ca -0.14 -0.76 -0.30 0.00 -0.26 0.00 0.00 58.87 57.41 3k32 n SER 100 Cb 0.55 1.16 -0.15 0.00 -0.26 0.00 0.00 64.21 65.50 3k32 n SER 100 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k32 s ILE 101 N -2.83 1.42 0.01 -1.33 1.01 -1.26 -1.28 121.20 116.94 3k32 s ILE 101 Ca 0.04 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.34 3k32 s ILE 101 Cb 0.13 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3k32 s ILE 101 CO 0.75 -0.33 -0.10 -0.22 0.00 0.00 0.00 174.94 175.05 3k32 s LEU 102 N 1.40 3.02 0.06 2.97 2.96 0.19 -2.27 118.68 127.02 3k32 s LEU 102 Ca 0.01 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 3k32 s LEU 102 Cb -0.18 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 3k32 s LEU 102 CO -0.11 0.27 0.17 0.00 -1.32 0.00 0.00 176.35 175.37 3k32 s ALA 103 N -0.98 -0.23 0.00 5.97 0.00 -0.75 -0.27 121.76 125.49 3k32 s ALA 103 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3k32 s ALA 103 Cb -0.11 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3k32 s ALA 103 CO 0.07 -0.42 0.00 -0.40 0.00 0.00 0.00 175.76 175.01 3k32 n ASP 104 N 0.34 0.00 -0.21 0.00 5.68 -1.17 -0.44 116.55 120.76 3k32 n ASP 104 Ca -0.17 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.17 3k32 n ASP 104 Cb 0.60 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.68 3k32 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k32 n GLY 105 N 0.00 3.73 3.72 6.12 0.00 -1.26 -4.38 105.19 113.12 3k32 n GLY 105 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3k32 n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k32 n THR 106 N -0.69 1.94 -4.45 2.61 -2.24 -1.26 -4.82 114.28 105.37 3k32 n THR 106 Ca 0.09 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 3k32 n THR 106 Cb 0.48 -1.70 -0.10 0.00 -2.10 0.00 0.00 70.33 66.91 3k32 n THR 106 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3k32 s ARG 107 N -1.86 1.61 0.13 -0.78 0.52 -1.26 -4.10 118.95 113.21 3k32 s ARG 107 Ca 0.55 -1.86 -0.30 0.00 -0.52 0.00 0.00 55.73 53.61 3k32 s ARG 107 Cb -0.54 -1.06 -0.07 0.00 0.52 0.00 0.00 34.95 33.80 3k32 s ARG 107 CO 0.62 -0.06 1.58 -0.09 0.02 0.00 0.00 175.30 177.37 3k32 h ARG 108 N 2.18 -0.51 -0.42 3.54 2.43 -1.71 -3.15 114.38 116.75 3k32 h ARG 108 Ca -0.41 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3k32 h ARG 108 Cb 1.24 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3k32 h ARG 108 CO 0.69 -0.34 0.00 -0.25 -1.51 0.00 0.00 179.97 178.56 3k32 n ASP 109 N -5.44 2.20 -4.48 -3.80 8.00 -1.26 -4.72 116.55 107.04 3k32 n ASP 109 Ca -0.05 -2.03 -0.36 0.00 0.71 0.00 0.00 54.79 53.07 3k32 n ASP 109 Cb 0.37 -0.28 -0.12 0.00 -0.02 0.00 0.00 41.12 41.06 3k32 n ASP 109 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3k32 s ASP 110 N -0.97 5.19 0.25 -2.24 1.11 -1.19 -4.99 116.67 113.83 3k32 s ASP 110 Ca 0.27 -0.16 0.02 0.00 0.18 0.00 0.00 52.55 52.86 3k32 s ASP 110 Cb 0.14 -1.92 0.32 0.00 1.07 0.00 0.00 42.92 42.53 3k32 s ASP 110 CO 0.18 0.01 1.63 -0.09 1.18 0.00 0.00 175.17 178.08 3k32 h ARG 111 N 7.92 0.41 -4.49 8.23 2.43 -1.87 -3.43 114.38 123.57 3k32 h ARG 111 Ca -0.37 -0.21 -0.34 0.00 -0.81 0.00 0.00 59.98 58.25 3k32 h ARG 111 Cb 1.18 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.45 3k32 h ARG 111 CO 0.60 0.76 -0.76 0.08 -1.51 0.00 0.00 179.97 179.14 3k32 s VAL 112 N -4.17 0.54 0.67 0.20 1.01 -1.26 -4.32 120.40 113.07 3k32 s VAL 112 Ca -0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 3k32 s VAL 112 Cb 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3k32 s VAL 112 CO 0.80 0.07 1.05 -2.16 0.00 0.00 0.00 175.10 174.87 3k32 s PRO 113 N -0.37 2.99 0.00 2.72 0.04 -1.26 -5.05 135.00 134.07 3k32 s PRO 113 Ca 0.01 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3k32 s PRO 113 Cb -0.04 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3k32 s PRO 113 CO -0.00 -0.90 0.00 1.17 0.04 0.00 0.00 177.00 177.31 3k32 n LYS 114 N -2.89 0.00 -3.06 4.56 4.81 -1.26 -4.76 118.16 115.55 3k32 n LYS 114 Ca 0.06 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.11 3k32 n LYS 114 Cb 0.57 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.56 3k32 n LYS 114 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3k32 s LEU 115 N 0.00 4.45 0.91 3.14 1.43 -1.26 -5.06 118.68 122.28 3k32 s LEU 115 Ca 0.00 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 3k32 s LEU 115 Cb 0.00 -3.12 0.14 0.00 0.03 0.00 0.00 46.19 43.23 3k32 s LEU 115 CO 0.00 0.06 1.11 -0.94 0.23 0.00 0.00 176.35 176.81 3k32 s SER 116 N -0.17 3.14 0.13 2.29 1.04 -1.26 -4.79 113.70 114.08 3k32 s SER 116 Ca 0.36 1.93 -0.21 0.00 0.48 0.00 0.00 55.95 58.51 3k32 s SER 116 Cb -0.20 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 3k32 s SER 116 CO 0.21 -2.92 1.68 0.22 0.98 0.00 0.00 173.24 173.41 3k32 h TYR 117 N -1.74 -0.28 -0.87 5.02 -0.00 -1.99 -0.23 116.97 116.87 3k32 h TYR 117 Ca -0.46 0.02 0.04 0.00 -0.00 0.00 0.00 58.73 58.33 3k32 h TYR 117 Cb 1.27 0.15 -0.05 0.00 -0.00 0.00 0.00 36.73 38.10 3k32 h TYR 117 CO 0.48 -0.17 0.57 0.66 -0.00 0.00 0.00 178.16 179.70 3k32 h SER 118 N -0.12 0.93 -0.85 -2.11 4.64 -1.99 0.88 113.55 114.94 3k32 h SER 118 Ca 0.10 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3k32 h SER 118 Cb 0.26 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3k32 h SER 118 CO -0.24 0.64 0.41 -0.33 -0.87 0.00 0.00 176.83 176.44 3k32 h GLU 119 N 1.08 1.22 0.08 4.77 5.08 -1.69 -1.60 114.58 123.52 3k32 h GLU 119 Ca 0.35 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3k32 h GLU 119 Cb 0.03 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3k32 h GLU 119 CO -0.10 0.93 -0.04 0.82 -1.00 0.00 0.00 179.01 179.62 3k32 h ILE 120 N 1.21 1.08 -0.94 3.13 2.04 0.38 -0.50 117.51 123.91 3k32 h ILE 120 Ca 0.29 -0.60 0.11 0.00 1.00 0.00 0.00 64.86 65.66 3k32 h ILE 120 Cb 0.11 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 3k32 h ILE 120 CO -0.04 0.15 0.57 1.56 0.00 0.00 0.00 178.15 180.39 3k32 h GLN 121 N -0.38 0.90 0.00 2.37 4.20 -0.78 0.13 115.11 121.56 3k32 h GLN 121 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3k32 h GLN 121 Cb 0.33 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3k32 h GLN 121 CO 0.02 0.59 -0.00 1.03 -0.67 0.00 0.00 178.83 179.80 3k32 h SER 122 N 0.93 -0.00 0.02 1.46 0.87 -1.26 -3.20 113.55 112.36 3k32 h SER 122 Ca 0.46 -0.37 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3k32 h SER 122 Cb 0.43 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 3k32 h SER 122 CO -0.26 0.37 -0.49 0.25 -0.53 0.00 0.00 176.83 176.17 3k32 h LEU 123 N -0.37 -1.50 -0.91 2.23 6.46 -0.33 0.29 115.31 121.18 3k32 h LEU 123 Ca -0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3k32 h LEU 123 Cb 0.37 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3k32 h LEU 123 CO 0.00 -0.48 0.00 -0.62 -0.62 0.00 0.00 178.44 176.72 3k32 n GLU 124 N -5.19 0.00 0.00 1.25 1.02 0.40 -1.85 120.64 116.27 3k32 n GLU 124 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3k32 n GLU 124 Cb 0.36 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 3k32 n GLU 124 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k32 n ARG 126 N 0.30 0.00 0.00 3.49 1.74 0.10 -0.13 116.66 122.16 3k32 n ARG 126 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3k32 n ARG 126 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 3k32 n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3k32 n LYS 127 N 0.00 0.67 -3.32 5.56 5.02 -0.77 -5.02 118.16 120.30 3k32 n LYS 127 Ca 0.00 -0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 55.49 3k32 n LYS 127 Cb 0.00 -1.04 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 3k32 n LYS 127 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k32 n ASN 128 N 0.08 -6.73 -3.99 4.39 5.15 0.82 -4.96 115.26 110.01 3k32 n ASN 128 Ca 0.03 -0.46 -0.08 0.00 -0.60 0.00 0.00 54.58 53.47 3k32 n ASN 128 Cb 0.13 -4.29 -0.09 0.00 -0.53 0.00 0.00 39.78 34.99 3k32 n ASN 128 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3k32 s ILE 129 N -3.11 0.18 -0.18 -1.44 -4.36 -1.09 -4.90 121.20 106.30 3k32 s ILE 129 Ca 0.12 -1.45 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 3k32 s ILE 129 Cb -0.03 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 3k32 s ILE 129 CO 0.79 -0.80 0.54 -1.10 0.24 0.00 0.00 174.94 174.61 3k32 s GLN 130 N -3.49 4.23 -0.24 0.37 -0.21 -0.41 -4.45 119.66 115.46 3k32 s GLN 130 Ca 0.03 0.47 -0.06 0.00 0.02 0.00 0.00 55.36 55.82 3k32 s GLN 130 Cb 0.04 -3.54 -0.02 0.00 1.00 0.00 0.00 33.01 30.49 3k32 s GLN 130 CO -0.09 -0.11 0.03 -0.47 -2.12 0.00 0.00 175.29 172.54 3k32 s TYR 131 N 1.49 3.04 -0.05 0.91 5.04 -1.26 -0.63 117.35 125.88 3k32 s TYR 131 Ca 0.26 -0.60 0.06 0.00 -2.44 0.00 0.00 57.07 54.34 3k32 s TYR 131 Cb -0.15 -2.19 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 3k32 s TYR 131 CO 0.10 -0.42 -0.23 -1.50 -1.34 0.00 0.00 175.55 172.17 3k32 s ILE 132 N 1.54 1.87 -0.55 3.14 1.10 0.62 -4.98 121.20 123.94 3k32 s ILE 132 Ca 0.06 -0.96 0.04 0.00 -0.51 0.00 0.00 60.65 59.28 3k32 s ILE 132 Cb -0.15 -1.58 0.16 0.00 0.15 0.00 0.00 42.46 41.04 3k32 s ILE 132 CO 0.01 0.52 0.38 0.42 -2.11 0.00 0.00 174.94 174.17 3k32 s THR 133 N -0.12 1.75 0.54 4.00 -4.23 -1.26 -3.01 115.64 113.30 3k32 s THR 133 Ca -0.03 -3.37 0.22 0.00 -1.18 0.00 0.00 61.69 57.33 3k32 s THR 133 Cb -0.13 -2.18 0.33 0.00 1.34 0.00 0.00 72.50 71.86 3k32 s THR 133 CO 0.03 -1.05 2.10 -0.65 -0.54 0.00 0.00 174.62 174.51 3k32 h PRO 134 N 5.79 0.00 -4.44 3.99 0.11 -1.85 -3.42 132.00 132.18 3k32 h PRO 134 Ca 0.15 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.52 3k32 h PRO 134 Cb 0.84 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.82 3k32 h PRO 134 CO 0.56 0.00 1.95 1.28 -0.21 0.00 0.00 178.00 181.58 3k32 n LEU 135 N -4.34 5.85 0.00 2.35 4.77 -1.26 -4.75 117.00 119.62 3k32 n LEU 135 Ca 0.02 -4.39 0.00 0.00 -0.03 0.00 0.00 56.01 51.61 3k32 n LEU 135 Cb 0.28 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 3k32 n LEU 135 CO 0.34 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3k32 n GLY 137 N 3.90 0.00 3.02 -0.72 0.00 -1.26 -3.36 105.19 106.77 3k32 n GLY 137 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 3k32 n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k32 s PHE 138 N 0.00 2.55 1.03 1.61 0.40 -1.26 -5.03 117.98 117.28 3k32 s PHE 138 Ca 0.00 -1.66 -0.11 0.00 -0.60 0.00 0.00 56.93 54.56 3k32 s PHE 138 Cb 0.00 -1.71 0.21 0.00 0.51 0.00 0.00 43.02 42.03 3k32 s PHE 138 CO 0.00 -0.76 1.09 0.20 0.70 0.00 0.00 175.22 176.44 3k32 s GLY 139 N 1.35 1.62 0.27 4.36 0.00 -1.26 -4.12 107.32 109.54 3k32 s GLY 139 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.95 3k32 s GLY 139 CO -0.09 0.79 1.78 -1.82 0.00 0.00 0.00 173.10 173.77 3k32 h TYR 140 N -2.20 0.91 -0.54 1.90 5.03 -1.97 -1.26 116.97 118.84 3k32 h TYR 140 Ca -0.52 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 60.71 3k32 h TYR 140 Cb 1.30 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 3k32 h TYR 140 CO 0.39 0.27 -0.12 -0.22 -1.32 0.00 0.00 178.16 177.16 3k32 h LYS 141 N 0.74 1.04 0.08 1.82 3.64 -1.99 -0.70 116.57 121.20 3k32 h LYS 141 Ca 0.48 -0.39 -0.26 0.00 -1.27 0.00 0.00 60.65 59.21 3k32 h LYS 141 Cb 0.63 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3k32 h LYS 141 CO -0.33 1.09 -1.12 0.00 -2.27 0.00 0.00 179.45 176.81 3k32 h THR 142 N 0.92 1.44 -0.36 1.00 1.03 -1.79 -2.76 112.91 112.39 3k32 h THR 142 Ca 0.14 -2.77 0.06 0.00 -0.01 0.00 0.00 66.41 63.83 3k32 h THR 142 Cb 0.70 2.72 -0.06 0.00 -1.07 0.00 0.00 68.15 70.44 3k32 h THR 142 CO 0.05 0.82 0.01 -0.07 -0.01 0.00 0.00 175.52 176.32 3k32 h LEU 143 N 0.15 -0.11 -1.78 0.00 4.07 -1.25 0.11 115.31 116.49 3k32 h LEU 143 Ca -0.12 0.08 0.06 0.00 0.08 0.00 0.00 57.88 57.98 3k32 h LEU 143 Cb 1.81 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.66 3k32 h LEU 143 CO 0.19 -0.02 0.27 -0.09 -1.08 0.00 0.00 178.44 177.71 3k32 h ARG 144 N 0.12 0.27 0.12 1.13 2.43 -0.96 -1.29 114.38 116.20 3k32 h ARG 144 Ca 0.17 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.16 3k32 h ARG 144 Cb 0.23 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3k32 h ARG 144 CO -0.28 0.18 -0.77 1.25 -1.51 0.00 0.00 179.97 178.84 3k32 h HIS 145 N 0.28 0.47 -0.74 2.20 2.76 -1.10 -3.06 115.15 115.96 3k32 h HIS 145 Ca 0.18 -0.34 -0.01 0.00 -2.20 0.00 0.00 60.37 57.99 3k32 h HIS 145 Cb 0.35 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 3k32 h HIS 145 CO -0.00 1.29 0.41 -0.07 -1.30 0.00 0.00 177.93 178.26 3k32 h LEU 146 N -0.45 0.92 -1.13 0.26 3.38 -0.32 -1.32 115.31 116.66 3k32 h LEU 146 Ca -0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3k32 h LEU 146 Cb 1.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3k32 h LEU 146 CO 0.12 0.76 0.35 0.00 0.09 0.00 0.00 178.44 179.76 3k32 h ALA 147 N 1.21 1.33 0.00 1.53 0.00 -1.36 0.11 119.26 122.07 3k32 h ALA 147 Ca 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3k32 h ALA 147 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3k32 h ALA 147 CO -0.04 0.53 -0.27 0.66 0.00 0.00 0.00 179.25 180.14 3k32 h SER 148 N 0.96 0.00 -0.01 0.00 4.64 -1.37 -0.90 113.55 116.86 3k32 h SER 148 Ca 0.24 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 3k32 h SER 148 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3k32 h SER 148 CO -0.03 0.27 -0.69 -0.08 -0.87 0.00 0.00 176.83 175.42 3k32 h GLU 149 N 0.00 0.64 0.00 4.77 4.57 0.03 -3.36 114.58 121.23 3k32 h GLU 149 Ca -0.00 -0.48 -0.26 0.00 -1.18 0.00 0.00 59.36 57.44 3k32 h GLU 149 Cb 1.01 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.64 3k32 h GLU 149 CO 0.03 1.10 -1.88 1.19 -1.18 0.00 0.00 179.01 178.27 3k32 n PHE 150 N -3.92 0.58 -4.39 0.92 3.72 0.22 -4.38 117.46 110.22 3k32 n PHE 150 Ca -0.05 0.20 -0.24 0.00 -0.05 0.00 0.00 57.45 57.31 3k32 n PHE 150 Cb 0.69 -1.04 -0.13 0.00 -0.94 0.00 0.00 39.48 38.06 3k32 n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k32 s PHE 151 N -2.73 1.78 -0.04 1.38 0.08 -0.35 0.22 117.98 118.32 3k32 s PHE 151 Ca -0.06 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.31 3k32 s PHE 151 Cb 0.08 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 3k32 s PHE 151 CO 0.83 0.17 0.89 0.42 -0.10 0.00 0.00 175.22 177.43 3k32 s ILE 152 N -1.05 4.91 -0.05 0.64 1.01 0.18 -4.62 121.20 122.21 3k32 s ILE 152 Ca 0.07 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.62 3k32 s ILE 152 Cb -0.10 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 3k32 s ILE 152 CO 0.03 0.16 -0.24 -0.76 0.00 0.00 0.00 174.94 174.13 3k32 s LEU 153 N 1.15 2.05 -0.15 2.97 1.43 -1.26 -1.74 118.68 123.13 3k32 s LEU 153 Ca 0.46 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3k32 s LEU 153 Cb -0.19 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3k32 s LEU 153 CO 0.23 0.25 -0.14 -0.70 0.23 0.00 0.00 176.35 176.22 3k32 s GLU 154 N -0.22 2.25 0.26 1.70 2.12 -0.39 -4.95 118.70 119.47 3k32 s GLU 154 Ca -0.01 -0.57 -0.20 0.00 0.36 0.00 0.00 54.97 54.55 3k32 s GLU 154 Cb -0.13 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.06 3k32 s GLU 154 CO 0.03 -0.25 0.77 -1.21 -0.54 0.00 0.00 175.26 174.05 3k32 s GLU 155 N 1.49 4.26 0.00 4.30 0.41 -1.26 0.34 118.70 128.24 3k32 s GLU 155 Ca 0.05 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.52 3k32 s GLU 155 Cb -0.13 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 3k32 s GLU 155 CO -0.10 0.33 0.00 0.44 -0.49 0.00 0.00 175.26 175.43 3k32 n ILE 156 N 0.49 0.00 -1.92 -1.63 -0.00 -0.76 -4.94 119.36 110.60 3k32 n ILE 156 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.71 3k32 n ILE 156 Cb 0.51 0.00 0.12 0.00 -0.00 0.00 0.00 39.64 40.27 3k32 n ILE 156 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 3k32 n LYS 157 N 0.00 1.97 0.00 6.28 2.85 -1.26 -4.22 118.16 123.78 3k32 n LYS 157 Ca 0.00 -3.40 0.00 0.00 -1.05 0.00 0.00 58.31 53.86 3k32 n LYS 157 Cb 0.00 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 3k32 n LYS 157 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3k32 n SER 163 N -0.76 0.20 -0.69 -5.58 3.41 -1.26 -4.94 113.62 104.00 3k32 n SER 163 Ca 0.24 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.93 3k32 n SER 163 Cb 0.83 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 65.01 3k32 n SER 163 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k32 n SER 164 N 0.00 3.48 -2.42 4.04 7.64 -1.06 -4.79 113.62 120.51 3k32 n SER 164 Ca 0.00 -2.98 -0.05 0.00 1.01 0.00 0.00 58.87 56.86 3k32 n SER 164 Cb 0.00 -0.50 0.04 0.00 -1.01 0.00 0.00 64.21 62.74 3k32 n SER 164 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3k32 n ASP 165 N -0.67 -0.35 0.16 6.43 5.68 -1.26 -4.77 116.55 121.77 3k32 n ASP 165 Ca 0.19 -0.93 0.13 0.00 -0.50 0.00 0.00 54.79 53.68 3k32 n ASP 165 Cb 0.81 -0.17 0.48 0.00 -1.14 0.00 0.00 41.12 41.10 3k32 n ASP 165 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3k32 h TYR 166 N -1.30 0.00 -0.84 2.11 0.05 -1.94 -3.31 116.97 111.74 3k32 h TYR 166 Ca -0.07 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.77 3k32 h TYR 166 Cb 0.20 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 3k32 h TYR 166 CO 0.00 0.00 0.52 1.49 -1.05 0.00 0.00 178.16 179.12 3k32 h GLU 167 N 0.00 0.93 -0.39 4.88 4.81 -1.94 -2.59 114.58 120.28 3k32 h GLU 167 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3k32 h GLU 167 Cb 0.55 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3k32 h GLU 167 CO 0.00 0.62 0.20 0.00 -0.73 0.00 0.00 179.01 179.09 3k32 h ALA 168 N 1.39 0.50 -0.14 2.92 0.00 -1.87 -0.66 119.26 121.40 3k32 h ALA 168 Ca 0.36 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3k32 h ALA 168 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3k32 h ALA 168 CO -0.16 0.05 -0.60 0.93 0.00 0.00 0.00 179.25 179.46 3k32 h GLU 169 N 0.49 0.48 -0.69 0.00 5.08 -1.78 -2.58 114.58 115.58 3k32 h GLU 169 Ca 0.13 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3k32 h GLU 169 Cb 0.10 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3k32 h GLU 169 CO -0.02 0.94 0.14 0.82 -1.00 0.00 0.00 179.01 179.89 3k32 h ILE 170 N 0.36 1.26 0.17 3.13 2.04 -1.23 -2.46 117.51 120.79 3k32 h ILE 170 Ca -0.00 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 3k32 h ILE 170 Cb 1.15 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3k32 h ILE 170 CO 0.11 0.38 -0.08 0.03 0.00 0.00 0.00 178.15 178.59 3k32 h ARG 171 N 1.06 -0.23 -0.53 2.37 3.08 -0.98 -1.43 114.38 117.72 3k32 h ARG 171 Ca 0.21 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.39 3k32 h ARG 171 Cb 0.41 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 3k32 h ARG 171 CO 0.01 -0.09 -0.03 1.25 -1.07 0.00 0.00 179.97 180.04 3k32 h HIS 172 N -0.30 -0.09 -0.30 3.04 2.76 -1.41 0.75 115.15 119.60 3k32 h HIS 172 Ca -0.02 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 3k32 h HIS 172 Cb 0.24 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.26 3k32 h HIS 172 CO -0.04 -0.15 -0.09 0.82 -1.30 0.00 0.00 177.93 177.17 3k32 h ILE 173 N 0.09 0.67 -0.94 6.26 2.04 -1.05 0.13 117.51 124.70 3k32 h ILE 173 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.20 3k32 h ILE 173 Cb 0.42 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 3k32 h ILE 173 CO -0.47 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.20 3k32 h LEU 174 N -0.02 0.93 -0.78 1.44 3.38 -0.22 -1.92 115.31 118.11 3k32 h LEU 174 Ca 0.15 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3k32 h LEU 174 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3k32 h LEU 174 CO -0.32 0.57 -0.21 0.50 0.09 0.00 0.00 178.44 179.07 3k32 h LYS 175 N 1.05 0.70 0.00 1.13 3.64 0.80 -0.22 116.57 123.66 3k32 h LYS 175 Ca 0.42 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3k32 h LYS 175 Cb 0.24 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3k32 h LYS 175 CO -0.20 0.85 0.00 0.93 -2.27 0.00 0.00 179.45 178.77 3k32 h GLU 176 N 0.61 0.00 -0.05 1.90 5.08 -0.31 -2.51 114.58 119.30 3k32 h GLU 176 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3k32 h GLU 176 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3k32 h GLU 176 CO 0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 3k32 n ARG 177 N -2.85 1.89 -0.97 2.33 1.74 -0.20 -4.91 116.66 113.69 3k32 n ARG 177 Ca 0.01 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 3k32 n ARG 177 Cb 0.27 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3k32 n ARG 177 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k32 n GLY 178 N 1.23 0.85 3.80 -0.13 0.00 -0.95 -5.01 105.19 104.99 3k32 n GLY 178 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3k32 n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k32 s GLU 179 N -0.09 2.76 -0.26 1.61 0.41 -0.58 -5.00 118.70 117.55 3k32 s GLU 179 Ca 0.00 1.04 -0.09 0.00 -0.41 0.00 0.00 54.97 55.51 3k32 s GLU 179 Cb 0.00 -1.96 -0.04 0.00 -1.78 0.00 0.00 34.13 30.35 3k32 s GLU 179 CO 0.00 -1.24 0.12 -1.54 -0.49 0.00 0.00 175.26 172.11 3k32 s SER 180 N -3.59 5.61 0.16 -0.19 1.04 -1.26 -4.01 113.70 111.46 3k32 s SER 180 Ca 0.59 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.79 3k32 s SER 180 Cb -0.15 -2.02 0.08 0.00 0.10 0.00 0.00 66.02 64.03 3k32 s SER 180 CO 0.54 -0.02 1.74 -0.65 0.98 0.00 0.00 173.24 175.84 3k32 h PRO 181 N 8.10 0.25 -0.81 4.02 0.11 -1.89 -3.01 132.00 138.77 3k32 h PRO 181 Ca -0.37 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.90 3k32 h PRO 181 Cb 1.18 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 3k32 h PRO 181 CO 0.58 0.17 -0.15 0.39 -0.21 0.00 0.00 178.00 178.78 3k32 n GLU 182 N -5.04 -0.07 -0.31 1.05 4.71 -1.25 0.31 120.64 120.04 3k32 n GLU 182 Ca 0.02 1.25 0.16 0.00 -0.01 0.00 0.00 57.16 58.58 3k32 n GLU 182 Cb 0.15 -1.90 0.34 0.00 -1.01 0.00 0.00 31.44 29.01 3k32 n GLU 182 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3k32 h LYS 183 N 0.00 0.14 0.00 3.49 1.63 -1.96 -2.84 116.57 117.02 3k32 h LYS 183 Ca 0.41 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 60.02 3k32 h LYS 183 Cb 0.69 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 3k32 h LYS 183 CO -0.82 0.09 -1.70 0.66 -3.45 0.00 0.00 179.45 174.23 3k32 n TYR 184 N -5.28 0.00 -3.87 1.91 4.02 0.11 -4.80 117.16 109.25 3k32 n TYR 184 Ca 0.24 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.85 3k32 n TYR 184 Cb 0.79 -0.50 -0.12 0.00 -0.02 0.00 0.00 39.34 39.49 3k32 n TYR 184 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3k32 n PHE 185 N -2.45 3.22 -1.75 -0.72 3.01 0.15 -4.85 117.46 114.07 3k32 n PHE 185 Ca -0.17 -4.29 -0.32 0.00 1.01 0.00 0.00 57.45 53.67 3k32 n PHE 185 Cb 0.82 -0.61 0.04 0.00 -0.01 0.00 0.00 39.48 39.72 3k32 n PHE 185 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3k32 s PRO 186 N -1.51 2.93 -0.36 -1.08 0.04 -1.09 -3.75 135.00 130.18 3k32 s PRO 186 Ca 0.26 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 3k32 s PRO 186 Cb -0.03 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3k32 s PRO 186 CO -0.16 -1.12 1.21 -1.21 0.04 0.00 0.00 177.00 175.76 3k32 s GLU 187 N -4.39 3.86 -0.19 4.56 2.02 -1.26 -5.00 118.70 118.30 3k32 s GLU 187 Ca 0.63 0.99 -0.00 0.00 0.02 0.00 0.00 54.97 56.61 3k32 s GLU 187 Cb -0.17 -3.87 0.01 0.00 0.10 0.00 0.00 34.13 30.20 3k32 s GLU 187 CO 0.45 -1.18 -0.15 -3.38 0.02 0.00 0.00 175.26 171.01 3k32 s HIS 188 N 4.34 2.82 -0.17 1.61 -3.43 -1.26 -5.04 115.29 114.16 3k32 s HIS 188 Ca 0.52 -1.40 -0.15 0.00 -0.80 0.00 0.00 55.06 53.23 3k32 s HIS 188 Cb -0.13 -1.96 -0.07 0.00 -1.43 0.00 0.00 32.58 29.00 3k32 s HIS 188 CO 0.24 -0.70 0.68 1.63 -2.00 0.00 0.00 174.74 174.59 3k32 n LYS 189 N 4.60 0.00 -4.05 -0.38 5.02 -1.26 -4.88 118.16 117.21 3k32 n LYS 189 Ca -0.20 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.78 3k32 n LYS 189 Cb 0.50 -0.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.94 3k32 n LYS 189 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3k32 s GLN 190 N 1.79 2.94 -0.07 1.97 -2.07 -1.26 -4.99 119.66 117.97 3k32 s GLN 190 Ca 0.39 -0.65 0.05 0.00 -1.82 0.00 0.00 55.36 53.34 3k32 s GLN 190 Cb -0.51 -2.77 -0.00 0.00 -1.09 0.00 0.00 33.01 28.64 3k32 s GLN 190 CO 0.24 0.58 -0.21 0.99 -1.32 0.00 0.00 175.29 175.56 3k32 s THR 191 N -1.37 1.81 -0.13 3.63 2.01 -1.26 -1.82 115.64 118.51 3k32 s THR 191 Ca 0.29 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 3k32 s THR 191 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3k32 s THR 191 CO 0.21 0.51 0.09 -0.60 -0.69 0.00 0.00 174.62 174.13 3k32 s ARG 192 N 0.13 3.46 0.13 4.92 3.52 0.15 -4.59 118.95 126.67 3k32 s ARG 192 Ca -0.10 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 3k32 s ARG 192 Cb -0.15 -3.10 -0.06 0.00 -1.56 0.00 0.00 34.95 30.08 3k32 s ARG 192 CO 0.05 0.63 1.07 0.08 -0.81 0.00 0.00 175.30 176.33 3k32 s VAL 193 N -0.64 4.13 0.00 7.11 1.01 -1.26 -1.26 120.40 129.49 3k32 s VAL 193 Ca 0.12 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.83 3k32 s VAL 193 Cb -0.12 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3k32 s VAL 193 CO 0.02 0.25 0.04 0.55 0.00 0.00 0.00 175.10 175.96 3k32 n VAL 194 N 2.86 0.00 0.00 2.92 3.14 -0.71 -4.90 118.33 121.65 3k32 n VAL 194 Ca 0.04 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 3k32 n VAL 194 Cb 0.47 1.54 0.00 0.00 -1.06 0.00 0.00 33.84 34.80 3k32 n VAL 194 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k32 n GLY 195 N 0.05 1.15 3.80 7.55 0.00 -1.24 -4.94 105.19 111.56 3k32 n GLY 195 Ca 0.00 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 3k32 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k32 s LEU 196 N 0.00 4.28 0.00 0.99 1.43 -1.26 0.47 118.68 124.58 3k32 s LEU 196 Ca 0.00 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 3k32 s LEU 196 Cb 0.00 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.33 3k32 s LEU 196 CO 0.00 -0.07 0.00 0.29 0.23 0.00 0.00 176.35 176.80 3k32 n LYS 197 N 0.43 0.00 -2.21 1.70 5.02 0.13 -4.72 118.16 118.51 3k32 n LYS 197 Ca 0.01 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 3k32 n LYS 197 Cb 0.51 -0.27 -0.00 0.00 -0.02 0.00 0.00 35.03 35.25 3k32 n LYS 197 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3k32 s LYS 198 N -0.22 3.46 0.10 1.97 1.02 -1.25 -5.06 119.74 119.75 3k32 s LYS 198 Ca 0.00 1.30 -0.02 0.00 0.02 0.00 0.00 55.97 57.27 3k32 s LYS 198 Cb 0.00 -2.05 0.02 0.00 -0.52 0.00 0.00 37.83 35.29 3k32 s LYS 198 CO 0.00 -0.71 0.14 -0.85 -0.92 0.00 0.00 175.35 173.01 3k32 n GLU 199 N -1.64 -0.14 0.00 1.68 0.00 -1.26 -4.97 120.64 114.31 3k32 n GLU 199 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.04 3k32 n GLU 199 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 31.44 31.82 3k32 n GLU 199 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24