#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k32 s VAL 6 N 0.00 0.09 -0.28 2.53 0.11 -0.49 -4.73 120.40 117.63 3k32 s VAL 6 Ca 0.00 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 3k32 s VAL 6 Cb 0.00 -0.09 0.01 0.00 -1.53 0.00 0.00 36.38 34.77 3k32 s VAL 6 CO 0.00 0.03 0.04 -1.00 -3.33 0.00 0.00 175.10 170.84 3k32 s HIS 7 N 0.03 3.12 -0.33 1.54 3.76 -0.49 0.08 115.29 123.00 3k32 s HIS 7 Ca -0.00 -1.14 -0.05 0.00 -0.15 0.00 0.00 55.06 53.72 3k32 s HIS 7 Cb -0.01 -2.19 0.05 0.00 1.11 0.00 0.00 32.58 31.54 3k32 s HIS 7 CO -0.00 -0.62 0.08 0.08 -0.85 0.00 0.00 174.74 173.43 3k32 s VAL 8 N 1.45 3.49 -0.04 -0.90 1.01 -0.57 -1.97 120.40 122.86 3k32 s VAL 8 Ca 0.02 -1.28 -0.35 0.00 0.00 0.00 0.00 61.98 60.37 3k32 s VAL 8 Cb -0.17 -3.01 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 3k32 s VAL 8 CO 0.00 -0.19 1.76 0.18 0.00 0.00 0.00 175.10 176.86 3k32 n LEU 9 N 4.74 3.14 -3.91 3.92 4.32 0.39 -1.20 117.00 128.40 3k32 n LEU 9 Ca -0.12 1.02 -0.23 0.00 -0.02 0.00 0.00 56.01 56.65 3k32 n LEU 9 Cb 0.44 -1.35 -0.17 0.00 -1.62 0.00 0.00 43.42 40.72 3k32 n LEU 9 CO 0.30 -0.21 -0.43 0.12 -1.22 0.00 0.00 177.39 175.96 3k32 s PHE 10 N 3.08 1.10 -0.68 -1.77 5.36 0.13 -4.10 117.98 121.10 3k32 s PHE 10 Ca 0.90 -0.42 0.21 0.00 -0.96 0.00 0.00 56.93 56.65 3k32 s PHE 10 Cb -0.75 -0.94 -0.26 0.00 -0.34 0.00 0.00 43.02 40.73 3k32 s PHE 10 CO 0.50 -0.32 0.75 -1.13 -1.46 0.00 0.00 175.22 173.55 3k32 n SER 11 N 4.43 0.70 0.00 6.13 3.41 -1.26 -4.33 113.62 122.70 3k32 n SER 11 Ca -0.18 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 3k32 n SER 11 Cb 0.51 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.77 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 1.42 2.30 3.64 5.00 0.00 -1.26 -3.20 105.19 113.08 3k32 n GLY 12 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 1.56 0.13 -0.02 0.00 -1.26 -4.72 107.32 100.94 3k32 s GLY 13 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 3k32 s GLY 13 CO 0.00 0.21 1.67 0.07 0.00 0.00 0.00 173.10 175.05 3k32 h LYS 14 N -2.14 0.58 -0.28 2.90 2.10 -1.97 0.64 116.57 118.40 3k32 h LYS 14 Ca -0.54 -0.11 -0.03 0.00 -2.00 0.00 0.00 60.65 57.97 3k32 h LYS 14 Cb 1.33 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 3k32 h LYS 14 CO 0.53 0.56 0.04 -0.44 -2.00 0.00 0.00 179.45 178.14 3k32 h ASP 15 N 0.48 0.45 -0.81 7.07 3.32 -1.94 -1.64 116.42 123.36 3k32 h ASP 15 Ca 0.13 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 56.99 3k32 h ASP 15 Cb 0.20 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3k32 h ASP 15 CO -0.01 0.60 0.53 -1.28 -1.72 0.00 0.00 179.24 177.36 3k32 h SER 16 N 0.29 0.74 0.05 6.45 0.87 -1.84 -1.60 113.55 118.52 3k32 h SER 16 Ca 0.09 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3k32 h SER 16 Cb 0.34 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3k32 h SER 16 CO 0.01 0.47 -0.03 0.28 -0.53 0.00 0.00 176.83 177.03 3k32 h SER 17 N 0.84 -0.06 -0.48 6.23 0.02 -0.53 -2.53 113.55 117.04 3k32 h SER 17 Ca 0.35 -0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.30 3k32 h SER 17 Cb 0.29 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.76 3k32 h SER 17 CO -0.13 0.07 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.42 3k32 h LEU 18 N -0.19 -0.50 -0.59 5.07 3.38 -0.57 0.32 115.31 122.23 3k32 h LEU 18 Ca -0.01 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.22 3k32 h LEU 18 Cb 0.16 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 3k32 h LEU 18 CO 0.01 -0.18 0.11 -1.28 0.09 0.00 0.00 178.44 177.20 3k32 h SER 19 N -0.03 -0.03 -0.41 -0.43 0.87 -1.23 0.23 113.55 112.53 3k32 h SER 19 Ca 0.23 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.93 3k32 h SER 19 Cb 0.38 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3k32 h SER 19 CO -0.50 -0.00 0.22 0.00 -0.53 0.00 0.00 176.83 176.01 3k32 h ALA 20 N 1.48 0.52 -0.50 6.23 0.00 -0.42 -2.70 119.26 123.87 3k32 h ALA 20 Ca 0.31 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3k32 h ALA 20 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3k32 h ALA 20 CO -0.41 -0.13 0.06 0.28 0.00 0.00 0.00 179.25 179.06 3k32 h VAL 21 N 0.45 1.25 -0.01 0.00 2.07 0.13 -2.09 116.25 118.05 3k32 h VAL 21 Ca 0.17 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3k32 h VAL 21 Cb 0.06 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3k32 h VAL 21 CO -0.11 0.34 -0.13 0.40 0.02 0.00 0.00 177.57 178.10 3k32 h ILE 22 N 0.71 0.68 -0.99 4.57 2.04 -0.53 0.25 117.51 124.24 3k32 h ILE 22 Ca 0.15 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.12 3k32 h ILE 22 Cb 0.43 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 3k32 h ILE 22 CO 0.01 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.72 3k32 h LEU 23 N -0.21 0.92 0.03 1.44 4.07 -1.31 -0.50 115.31 119.75 3k32 h LEU 23 Ca 0.05 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3k32 h LEU 23 Cb 0.27 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3k32 h LEU 23 CO -0.13 0.49 -0.02 0.50 -1.08 0.00 0.00 178.44 178.21 3k32 h LYS 24 N 0.99 -0.04 -0.03 1.13 1.63 -0.67 -1.49 116.57 118.09 3k32 h LYS 24 Ca 0.49 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.30 3k32 h LYS 24 Cb 0.46 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3k32 h LYS 24 CO -0.26 0.29 0.09 0.87 -3.45 0.00 0.00 179.45 176.99 3k32 h LYS 25 N -0.38 0.00 -0.00 1.90 1.57 -0.54 -1.80 116.57 117.31 3k32 h LYS 25 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k32 h LYS 25 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3k32 h LYS 25 CO 0.01 0.00 -0.36 1.28 -0.57 0.00 0.00 179.45 179.81 3k32 n LEU 26 N -3.27 0.37 0.00 2.94 4.77 -0.23 -4.90 117.00 116.67 3k32 n LEU 26 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3k32 n LEU 26 Cb 0.16 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3k32 n LEU 26 CO 0.21 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3k32 n GLY 27 N 1.50 0.87 3.82 -0.72 0.00 -0.68 -5.08 105.19 104.91 3k32 n GLY 27 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 3.38 -0.47 1.61 2.02 -0.62 -5.01 117.35 116.25 3k32 s TYR 28 Ca 0.00 1.52 -0.19 0.00 -0.37 0.00 0.00 57.07 58.03 3k32 s TYR 28 Cb 0.00 -2.77 0.04 0.00 -0.40 0.00 0.00 41.96 38.83 3k32 s TYR 28 CO 0.00 -0.01 0.60 1.21 -1.57 0.00 0.00 175.55 175.78 3k32 s ASN 29 N -2.13 6.25 -0.42 2.29 2.47 -1.26 -4.31 114.94 117.83 3k32 s ASN 29 Ca 0.58 -0.70 -0.20 0.00 0.42 0.00 0.00 52.86 52.96 3k32 s ASN 29 Cb -0.11 -2.29 0.02 0.00 -1.45 0.00 0.00 41.25 37.42 3k32 s ASN 29 CO 0.15 -0.81 0.60 -2.16 -3.72 0.00 0.00 177.10 171.16 3k32 s PRO 30 N 2.62 3.32 -0.53 0.43 0.05 -1.26 -1.40 135.00 138.23 3k32 s PRO 30 Ca 0.17 -0.37 -0.20 0.00 0.05 0.00 0.00 61.00 60.65 3k32 s PRO 30 Cb -0.17 -3.93 0.06 0.00 0.05 0.00 0.00 34.50 30.51 3k32 s PRO 30 CO 0.14 -0.93 0.69 -1.01 0.05 0.00 0.00 177.00 175.94 3k32 s HIS 31 N 2.68 3.00 0.07 0.56 3.76 0.11 -4.11 115.29 121.35 3k32 s HIS 31 Ca 0.21 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.30 3k32 s HIS 31 Cb -0.15 -3.68 -0.06 0.00 1.11 0.00 0.00 32.58 29.80 3k32 s HIS 31 CO 0.17 -1.12 1.24 -0.51 -0.85 0.00 0.00 174.74 173.67 3k32 s LEU 32 N 2.87 4.37 -0.08 0.89 1.02 0.33 -1.51 118.68 126.56 3k32 s LEU 32 Ca 0.17 2.08 0.04 0.00 0.02 0.00 0.00 54.13 56.44 3k32 s LEU 32 Cb -0.19 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.45 3k32 s LEU 32 CO 0.12 -0.51 -0.20 -0.63 0.02 0.00 0.00 176.35 175.15 3k32 s ILE 33 N 1.08 1.72 -0.10 -0.59 1.01 -0.34 -0.74 121.20 123.23 3k32 s ILE 33 Ca 0.60 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3k32 s ILE 33 Cb -0.31 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3k32 s ILE 33 CO 0.29 0.48 -0.18 -0.89 0.00 0.00 0.00 174.94 174.65 3k32 s THR 34 N 0.41 2.67 0.01 2.92 2.01 -0.72 0.17 115.64 123.10 3k32 s THR 34 Ca -0.16 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 3k32 s THR 34 Cb -0.17 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.21 3k32 s THR 34 CO 0.07 0.55 0.54 -0.63 -0.69 0.00 0.00 174.62 174.45 3k32 s ILE 35 N 0.15 4.90 -0.01 1.82 -1.09 -1.26 -1.29 121.20 124.42 3k32 s ILE 35 Ca -0.10 1.13 0.04 0.00 -2.23 0.00 0.00 60.65 59.50 3k32 s ILE 35 Cb -0.16 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 3k32 s ILE 35 CO 0.06 0.48 -0.13 0.21 -1.23 0.00 0.00 174.94 174.33 3k32 s ASN 36 N -0.57 1.49 0.00 3.58 3.84 0.78 -4.91 114.94 119.16 3k32 s ASN 36 Ca 0.28 -0.23 0.19 0.00 0.21 0.00 0.00 52.86 53.31 3k32 s ASN 36 Cb -0.18 -0.17 0.17 0.00 -0.55 0.00 0.00 41.25 40.53 3k32 s ASN 36 CO 0.16 0.16 1.12 0.49 -2.79 0.00 0.00 177.10 176.24 3k32 n PHE 37 N 2.76 0.05 -0.71 0.43 3.01 -1.26 -0.39 117.46 121.35 3k32 n PHE 37 Ca -0.14 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3k32 n PHE 37 Cb 0.56 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 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 1.08 0.75 0.06 1.37 0.00 -1.26 -3.58 105.19 103.60 3k32 n GLY 38 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -3.48 1.61 2.07 -1.94 -3.48 116.25 111.03 3k32 h VAL 39 Ca 0.00 -0.49 -0.32 0.00 0.82 0.00 0.00 66.70 66.71 3k32 h VAL 39 Cb 0.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 3k32 h VAL 39 CO 0.00 0.00 -0.69 0.27 0.02 0.00 0.00 177.57 177.17 3k32 s ILE 40 N -1.74 1.02 -1.30 4.57 -4.36 -1.26 -5.08 121.20 113.05 3k32 s ILE 40 Ca -0.01 -2.03 -0.10 0.00 -0.26 0.00 0.00 60.65 58.24 3k32 s ILE 40 Cb 0.00 -1.95 0.15 0.00 1.25 0.00 0.00 42.46 41.91 3k32 s ILE 40 CO 0.04 -0.65 1.90 -0.81 0.24 0.00 0.00 174.94 175.66 3k32 n PRO 41 N -0.22 3.49 -0.47 0.37 -0.04 -1.26 -4.75 135.00 132.12 3k32 n PRO 41 Ca -0.09 -3.41 0.04 0.00 -0.04 0.00 0.00 63.50 60.00 3k32 n PRO 41 Cb 0.62 -2.99 0.22 0.00 -0.04 0.00 0.00 33.50 31.30 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 4.36 3.47 -0.91 3.54 3.41 -1.26 -3.95 113.62 122.28 3k32 n SER 42 Ca 0.41 -2.46 0.11 0.00 -0.26 0.00 0.00 58.87 56.67 3k32 n SER 42 Cb 0.37 -0.57 0.27 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.38 0.44 -0.16 7.33 0.18 -1.26 -3.61 117.16 120.45 3k32 n TYR 43 Ca 0.15 -0.22 -0.10 0.00 1.88 0.00 0.00 57.90 59.61 3k32 n TYR 43 Cb 0.73 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.69 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 3.39 0.87 -0.43 -3.48 6.56 -1.92 -2.85 116.57 118.71 3k32 h LYS 44 Ca 0.00 -0.30 0.04 0.00 -1.06 0.00 0.00 60.65 59.33 3k32 h LYS 44 Cb 0.75 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.30 3k32 h LYS 44 CO 0.00 0.94 0.20 1.25 -2.06 0.00 0.00 179.45 179.78 3k32 h LEU 45 N 0.72 0.28 -0.61 2.94 7.12 -1.91 -2.52 115.31 121.32 3k32 h LEU 45 Ca 0.13 0.03 -0.15 0.00 0.13 0.00 0.00 57.88 58.02 3k32 h LEU 45 Cb 0.57 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 3k32 h LEU 45 CO 0.03 0.20 -0.54 0.00 -0.13 0.00 0.00 178.44 178.01 3k32 h ALA 46 N 1.24 0.79 -0.63 1.25 0.00 -1.74 -2.25 119.26 117.92 3k32 h ALA 46 Ca 0.19 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3k32 h ALA 46 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3k32 h ALA 46 CO -0.15 0.69 0.27 0.93 0.00 0.00 0.00 179.25 180.99 3k32 h GLU 47 N 0.34 0.90 0.39 0.00 5.08 -1.34 -1.22 114.58 118.73 3k32 h GLU 47 Ca 0.01 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3k32 h GLU 47 Cb 1.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3k32 h GLU 47 CO 0.09 0.72 -0.19 0.93 -1.00 0.00 0.00 179.01 179.56 3k32 h GLU 48 N 0.89 -0.51 0.00 2.33 5.08 -0.98 -2.51 114.58 118.88 3k32 h GLU 48 Ca 0.22 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3k32 h GLU 48 Cb 0.14 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3k32 h GLU 48 CO -0.02 -0.20 -0.18 0.00 -1.00 0.00 0.00 179.01 177.61 3k32 h THR 49 N -0.87 0.74 -0.59 1.13 1.03 -1.43 -1.80 112.91 111.12 3k32 h THR 49 Ca -0.05 -0.73 -0.07 0.00 -0.01 0.00 0.00 66.41 65.54 3k32 h THR 49 Cb 0.55 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 69.05 3k32 h THR 49 CO 0.09 0.18 0.08 0.00 -0.01 0.00 0.00 175.52 175.86 3k32 h ALA 50 N 1.82 1.04 -0.71 0.00 0.00 -1.14 0.45 119.26 120.71 3k32 h ALA 50 Ca -0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3k32 h ALA 50 Cb 0.43 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3k32 h ALA 50 CO 0.02 0.61 0.17 0.87 0.00 0.00 0.00 179.25 180.93 3k32 h LYS 51 N 0.90 1.14 -0.37 0.00 1.57 -0.89 0.18 116.57 119.10 3k32 h LYS 51 Ca 0.18 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3k32 h LYS 51 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3k32 h LYS 51 CO 0.01 1.01 0.18 0.82 -0.57 0.00 0.00 179.45 180.89 3k32 h ILE 52 N 1.08 1.17 0.00 1.86 2.04 -0.66 -2.29 117.51 120.71 3k32 h ILE 52 Ca 0.22 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 3k32 h ILE 52 Cb 0.38 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3k32 h ILE 52 CO 0.00 0.18 -0.27 -0.07 0.00 0.00 0.00 178.15 178.00 3k32 h LEU 53 N 0.46 0.00 -0.39 1.44 4.07 0.01 -3.47 115.31 117.44 3k32 h LEU 53 Ca 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 3k32 h LEU 53 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3k32 h LEU 53 CO -0.02 0.27 -0.03 0.61 -1.08 0.00 0.00 178.44 178.19 3k32 n GLY 54 N -0.58 0.59 3.60 0.83 0.00 0.53 -5.07 105.19 105.09 3k32 n GLY 54 Ca -0.02 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.52 2.80 0.43 1.61 0.08 -0.60 -5.03 117.98 114.74 3k32 s PHE 55 Ca 0.02 -0.12 -0.25 0.00 0.12 0.00 0.00 56.93 56.69 3k32 s PHE 55 Cb -0.01 -1.47 -0.09 0.00 -0.57 0.00 0.00 43.02 40.88 3k32 s PHE 55 CO 0.02 0.43 1.32 1.63 -0.10 0.00 0.00 175.22 178.52 3k32 n LYS 56 N 0.75 2.01 -3.83 0.44 4.01 -1.26 -4.61 118.16 115.68 3k32 n LYS 56 Ca -0.13 0.72 -0.13 0.00 -0.51 0.00 0.00 58.31 58.26 3k32 n LYS 56 Cb 0.52 -2.46 -0.13 0.00 -0.51 0.00 0.00 35.03 32.45 3k32 n LYS 56 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3k32 s HIS 57 N -1.20 -0.10 0.06 2.13 2.46 -1.26 -0.51 115.29 116.88 3k32 s HIS 57 Ca 0.61 0.26 0.05 0.00 0.47 0.00 0.00 55.06 56.45 3k32 s HIS 57 Cb -0.49 0.01 -0.03 0.00 -0.13 0.00 0.00 32.58 31.94 3k32 s HIS 57 CO 0.58 -0.06 -0.13 0.15 -2.47 0.00 0.00 174.74 172.80 3k32 s LYS 58 N 0.23 0.78 -0.14 2.88 1.02 0.08 -4.97 119.74 119.63 3k32 s LYS 58 Ca -0.02 -0.90 -0.05 0.00 0.02 0.00 0.00 55.97 55.03 3k32 s LYS 58 Cb -0.02 -0.76 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 3k32 s LYS 58 CO -0.01 0.17 0.03 0.54 -0.92 0.00 0.00 175.35 175.16 3k32 s VAL 59 N -1.23 4.54 -0.16 3.17 0.11 -1.26 -1.76 120.40 123.81 3k32 s VAL 59 Ca -0.03 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 3k32 s VAL 59 Cb -0.10 -2.99 -0.01 0.00 -1.53 0.00 0.00 36.38 31.76 3k32 s VAL 59 CO 0.02 0.53 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.58 3k32 s ILE 60 N -0.18 3.07 -0.16 7.04 1.01 -0.41 -4.96 121.20 126.60 3k32 s ILE 60 Ca 0.06 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 3k32 s ILE 60 Cb -0.12 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 3k32 s ILE 60 CO 0.02 0.50 0.23 -0.89 0.00 0.00 0.00 174.94 174.79 3k32 s THR 61 N 0.77 5.34 0.29 2.92 2.01 -1.25 -0.15 115.64 125.58 3k32 s THR 61 Ca -0.04 0.42 0.10 0.00 0.31 0.00 0.00 61.69 62.47 3k32 s THR 61 Cb -0.15 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 3k32 s THR 61 CO 0.01 0.43 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.47 3k32 s LEU 62 N 0.23 2.62 0.19 4.42 1.02 0.48 -4.95 118.68 122.69 3k32 s LEU 62 Ca 0.14 -1.10 -0.33 0.00 0.02 0.00 0.00 54.13 52.86 3k32 s LEU 62 Cb -0.12 -0.96 -0.13 0.00 0.02 0.00 0.00 46.19 45.00 3k32 s LEU 62 CO 0.02 -0.11 1.60 -0.67 0.02 0.00 0.00 176.35 177.21 3k32 n ASP 63 N -0.64 3.32 0.16 2.29 2.03 -1.26 -4.31 116.55 118.14 3k32 n ASP 63 Ca -0.05 1.09 0.18 0.00 0.52 0.00 0.00 54.79 56.52 3k32 n ASP 63 Cb 0.61 -1.47 0.67 0.00 -0.72 0.00 0.00 41.12 40.22 3k32 n ASP 63 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3k32 h ARG 64 N 5.89 0.00 0.00 -0.67 2.43 -1.95 -2.41 114.38 117.67 3k32 h ARG 64 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3k32 h ARG 64 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3k32 h ARG 64 CO 0.89 0.00 0.00 0.87 -1.51 0.00 0.00 179.97 180.22 3k32 h LYS 65 N 0.00 0.00 -0.24 0.20 1.57 -1.90 -2.48 116.57 113.71 3k32 h LYS 65 Ca 0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3k32 h LYS 65 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3k32 h LYS 65 CO -0.00 0.00 0.05 0.82 -0.57 0.00 0.00 179.45 179.75 3k32 h ILE 66 N 0.00 1.21 0.00 1.86 2.04 -1.81 -2.34 117.51 118.47 3k32 h ILE 66 Ca 0.00 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3k32 h ILE 66 Cb 0.44 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3k32 h ILE 66 CO 0.00 0.23 -0.10 -0.37 0.00 0.00 0.00 178.15 177.91 3k32 h VAL 67 N 0.21 0.18 -0.17 1.67 -1.51 -1.68 -1.81 116.25 113.13 3k32 h VAL 67 Ca 0.07 -1.18 -0.04 0.00 -1.23 0.00 0.00 66.70 64.32 3k32 h VAL 67 Cb 0.29 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3k32 h VAL 67 CO 0.00 0.10 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.05 3k32 h GLU 68 N 0.00 0.34 -0.86 5.19 4.39 -1.41 0.12 114.58 122.34 3k32 h GLU 68 Ca -0.00 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.60 3k32 h GLU 68 Cb 1.02 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.60 3k32 h GLU 68 CO 0.01 0.62 0.56 -0.22 -1.16 0.00 0.00 179.01 178.82 3k32 h LYS 69 N 0.03 1.05 0.02 2.33 1.63 -1.34 0.21 116.57 120.51 3k32 h LYS 69 Ca 0.04 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3k32 h LYS 69 Cb 0.51 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 3k32 h LYS 69 CO 0.02 0.70 -0.18 0.00 -3.45 0.00 0.00 179.45 176.54 3k32 h ALA 70 N 1.36 -0.23 -0.50 5.00 0.00 -1.12 -2.57 119.26 121.19 3k32 h ALA 70 Ca 0.34 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.32 3k32 h ALA 70 Cb -0.00 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3k32 h ALA 70 CO -0.11 -0.68 0.17 0.00 0.00 0.00 0.00 179.25 178.63 3k32 h ALA 71 N 0.60 0.61 0.00 0.00 0.00 0.01 0.12 119.26 120.60 3k32 h ALA 71 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3k32 h ALA 71 Cb 0.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3k32 h ALA 71 CO -0.15 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 178.62 3k32 n ASP 72 N -5.02 0.00 0.00 0.00 10.43 0.66 -1.83 116.55 120.79 3k32 n ASP 72 Ca 0.05 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.41 3k32 n ASP 72 Cb 0.21 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.17 3k32 n ASP 72 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3k32 n ILE 74 N 0.07 0.00 -0.05 0.53 5.41 0.41 -1.70 119.36 124.03 3k32 n ILE 74 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 3k32 n ILE 74 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 3k32 n ILE 74 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3k32 h ILE 75 N 0.00 1.29 0.18 1.39 2.04 -1.62 0.26 117.51 121.05 3k32 h ILE 75 Ca 0.00 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 3k32 h ILE 75 Cb 0.00 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3k32 h ILE 75 CO 0.00 0.57 -0.09 -0.08 0.00 0.00 0.00 178.15 178.56 3k32 h GLU 76 N 0.52 -0.23 0.00 2.37 4.81 -1.60 -3.15 114.58 117.29 3k32 h GLU 76 Ca -0.02 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3k32 h GLU 76 Cb 1.22 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3k32 h GLU 76 CO 0.13 0.03 0.00 0.45 -0.73 0.00 0.00 179.01 178.88 3k32 h HIS 77 N -0.48 0.00 -0.05 0.92 3.86 -1.82 -3.46 115.15 114.12 3k32 h HIS 77 Ca -0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3k32 h HIS 77 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3k32 h HIS 77 CO 0.00 0.00 -0.02 1.63 0.86 0.00 0.00 177.93 180.40 3k32 n LYS 78 N -2.54 -1.51 -3.52 2.45 5.02 0.07 -4.92 118.16 113.22 3k32 n LYS 78 Ca 0.04 0.43 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 3k32 n LYS 78 Cb 0.38 -4.58 -0.06 0.00 -0.02 0.00 0.00 35.03 30.74 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 -1.33 -0.64 0.06 2.13 -0.85 -1.19 -4.99 117.35 110.55 3k32 s TYR 79 Ca 0.00 1.10 0.11 0.00 -0.52 0.00 0.00 57.07 57.76 3k32 s TYR 79 Cb 0.00 0.41 0.05 0.00 0.38 0.00 0.00 41.96 42.81 3k32 s TYR 79 CO 0.00 -0.59 1.43 -1.00 -1.52 0.00 0.00 175.55 173.86 3k32 h PRO 80 N 2.98 0.00 0.00 -3.49 0.14 -1.87 -3.40 132.00 126.35 3k32 h PRO 80 Ca -0.26 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.88 3k32 h PRO 80 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.28 3k32 h PRO 80 CO 0.38 0.73 0.00 0.41 0.14 0.00 0.00 178.00 179.66 3k32 n GLY 81 N 1.03 -0.92 0.36 1.56 0.00 -1.26 -0.37 105.19 105.60 3k32 n GLY 81 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 0.74 -0.51 1.61 0.11 -1.99 -1.83 132.00 130.12 3k32 h PRO 82 Ca 0.00 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 3k32 h PRO 82 Cb 0.00 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 3k32 h PRO 82 CO 0.00 0.49 -0.16 0.00 -0.21 0.00 0.00 178.00 178.12 3k32 h ALA 83 N 1.59 0.71 -0.02 -0.75 0.00 -0.98 0.12 119.26 119.93 3k32 h ALA 83 Ca 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3k32 h ALA 83 Cb 0.45 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k32 h ALA 83 CO -0.15 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.57 3k32 h ILE 84 N 0.88 1.35 -0.77 0.00 1.08 -0.81 -1.51 117.51 117.73 3k32 h ILE 84 Ca 0.13 -1.04 0.17 0.00 -0.39 0.00 0.00 64.86 63.72 3k32 h ILE 84 Cb 0.73 2.01 -0.14 0.00 -3.07 0.00 0.00 36.82 36.36 3k32 h ILE 84 CO 0.06 0.28 -0.04 -0.61 -0.69 0.00 0.00 178.15 177.14 3k32 h GLN 85 N -0.38 0.07 -0.42 2.37 5.75 -1.31 -1.54 115.11 119.64 3k32 h GLN 85 Ca 0.00 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3k32 h GLN 85 Cb 0.45 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 3k32 h GLN 85 CO 0.00 0.04 0.27 -0.92 -2.65 0.00 0.00 178.83 175.58 3k32 h TYR 86 N 0.07 0.52 -0.07 3.99 3.20 -0.24 -2.07 116.97 122.36 3k32 h TYR 86 Ca 0.41 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 3k32 h TYR 86 Cb 0.71 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3k32 h TYR 86 CO -0.47 0.32 0.03 0.28 -1.64 0.00 0.00 178.16 176.68 3k32 h VAL 87 N 0.56 1.14 -0.30 1.81 2.07 -0.41 -1.67 116.25 119.45 3k32 h VAL 87 Ca 0.16 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.29 3k32 h VAL 87 Cb -0.05 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3k32 h VAL 87 CO -0.04 0.12 0.10 -0.74 0.02 0.00 0.00 177.57 177.03 3k32 h HIS 88 N -0.04 0.19 -0.70 1.57 -0.00 -1.16 0.20 115.15 115.20 3k32 h HIS 88 Ca 0.02 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 3k32 h HIS 88 Cb 0.17 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 3k32 h HIS 88 CO -0.02 0.08 0.45 0.87 -0.00 0.00 0.00 177.93 179.32 3k32 h LYS 89 N 0.24 0.89 -0.21 5.26 1.57 -1.35 -0.57 116.57 122.39 3k32 h LYS 89 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3k32 h LYS 89 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3k32 h LYS 89 CO -0.14 0.59 0.10 1.15 -0.57 0.00 0.00 179.45 180.58 3k32 h THR 90 N 0.91 1.13 -0.45 -0.16 2.02 -0.34 -1.20 112.91 114.82 3k32 h THR 90 Ca 0.27 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3k32 h THR 90 Cb -0.06 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3k32 h THR 90 CO -0.07 0.13 0.28 0.58 0.37 0.00 0.00 175.52 176.80 3k32 h VAL 91 N 0.21 1.14 -0.64 3.16 2.07 -0.42 -2.74 116.25 119.02 3k32 h VAL 91 Ca 0.07 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3k32 h VAL 91 Cb 0.11 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3k32 h VAL 91 CO -0.01 0.14 0.33 -0.07 0.02 0.00 0.00 177.57 177.98 3k32 h LEU 92 N 0.60 0.82 -0.32 2.57 3.38 -0.86 -0.60 115.31 120.90 3k32 h LEU 92 Ca 0.16 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3k32 h LEU 92 Cb -0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 3k32 h LEU 92 CO -0.03 0.70 -0.30 -0.33 0.09 0.00 0.00 178.44 178.57 3k32 h GLU 93 N 0.88 -0.26 -0.36 1.13 4.39 -1.15 0.45 114.58 119.66 3k32 h GLU 93 Ca 0.22 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 3k32 h GLU 93 Cb 0.08 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3k32 h GLU 93 CO -0.03 -0.17 0.18 0.82 -1.16 0.00 0.00 179.01 178.65 3k32 h ILE 94 N -0.27 1.16 0.00 3.13 2.04 -1.08 -2.71 117.51 119.79 3k32 h ILE 94 Ca 0.16 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 3k32 h ILE 94 Cb 0.52 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3k32 h ILE 94 CO -0.47 0.17 -0.51 -0.07 0.00 0.00 0.00 178.15 177.27 3k32 h LEU 95 N 0.45 0.00 0.00 1.44 3.38 -1.01 -2.53 115.31 117.04 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 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3k32 h LEU 95 CO -0.02 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.02 3k32 n ALA 96 N -2.43 1.57 0.05 1.53 0.00 0.14 -0.95 120.51 120.41 3k32 n ALA 96 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3k32 n ALA 96 Cb 0.53 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.68 3k32 n ALA 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k32 h ASP 97 N 0.00 0.13 0.06 0.00 3.32 -1.41 -3.40 116.42 115.12 3k32 h ASP 97 Ca 0.00 -0.16 -0.38 0.00 0.02 0.00 0.00 57.03 56.51 3k32 h ASP 97 Cb 0.14 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3k32 h ASP 97 CO 0.00 1.13 -2.29 -0.62 -1.72 0.00 0.00 179.24 175.74 3k32 n GLU 98 N -3.33 0.69 -4.76 3.56 1.02 -0.38 -4.99 120.64 112.44 3k32 n GLU 98 Ca -0.08 0.19 -0.33 0.00 -0.02 0.00 0.00 57.16 56.92 3k32 n GLU 98 Cb 0.99 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 30.69 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 -2.53 2.81 -1.28 -0.32 2.02 -0.13 -5.02 117.35 112.89 3k32 s TYR 99 Ca -0.29 -0.24 0.25 0.00 -0.37 0.00 0.00 57.07 56.42 3k32 s TYR 99 Cb 0.08 -1.72 0.45 0.00 -0.40 0.00 0.00 41.96 40.37 3k32 s TYR 99 CO 0.67 0.11 1.37 -1.13 -1.57 0.00 0.00 175.55 175.01 3k32 n SER 100 N 2.67 0.81 -3.70 2.29 3.41 -1.26 -4.52 113.62 113.31 3k32 n SER 100 Ca -0.18 -0.61 -0.26 0.00 -0.26 0.00 0.00 58.87 57.57 3k32 n SER 100 Cb 0.52 0.33 -0.17 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.30 -0.00 -1.33 1.01 -1.26 -1.07 121.20 116.03 3k32 s ILE 101 Ca 0.15 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3k32 s ILE 101 Cb 0.18 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 3k32 s ILE 101 CO 0.66 -0.13 -0.07 -0.22 0.00 0.00 0.00 174.94 175.18 3k32 s LEU 102 N 1.97 3.15 0.03 2.97 2.96 0.67 -1.40 118.68 129.02 3k32 s LEU 102 Ca 0.01 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.68 3k32 s LEU 102 Cb -0.16 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.74 3k32 s LEU 102 CO -0.08 0.29 0.19 0.00 -1.32 0.00 0.00 176.35 175.43 3k32 s ALA 103 N -0.98 -0.36 0.07 5.97 0.00 -0.83 0.15 121.76 125.78 3k32 s ALA 103 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3k32 s ALA 103 Cb -0.11 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3k32 s ALA 103 CO 0.07 -0.33 0.11 -0.40 0.00 0.00 0.00 175.76 175.21 3k32 n ASP 104 N 0.82 -0.32 -1.84 0.00 5.68 -1.20 -0.46 116.55 119.23 3k32 n ASP 104 Ca -0.19 -1.34 0.07 0.00 -0.50 0.00 0.00 54.79 52.82 3k32 n ASP 104 Cb 0.58 0.56 0.39 0.00 -1.14 0.00 0.00 41.12 41.52 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 -0.11 2.92 3.73 6.12 0.00 -1.26 -4.45 105.19 112.15 3k32 n GLY 105 Ca -0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3k32 n GLY 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3k32 n THR 106 N 0.66 2.50 -4.18 2.61 -1.04 -1.26 -4.84 114.28 108.73 3k32 n THR 106 Ca 0.27 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.67 3k32 n THR 106 Cb 1.15 -1.71 -0.10 0.00 -1.82 0.00 0.00 70.33 67.85 3k32 n THR 106 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3k32 s ARG 107 N -2.23 0.87 0.11 -2.82 0.52 -1.26 -3.89 118.95 110.25 3k32 s ARG 107 Ca 0.59 -1.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 3k32 s ARG 107 Cb -0.49 -0.22 -0.08 0.00 0.52 0.00 0.00 34.95 34.67 3k32 s ARG 107 CO 0.59 -0.03 1.61 -0.09 0.02 0.00 0.00 175.30 177.41 3k32 h ARG 108 N 2.93 -0.54 -0.93 3.54 2.43 -1.65 -3.01 114.38 117.16 3k32 h ARG 108 Ca -0.35 0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 58.54 3k32 h ARG 108 Cb 1.17 0.12 -0.18 0.00 -0.42 0.00 0.00 29.97 30.66 3k32 h ARG 108 CO 0.64 -0.36 0.39 -0.25 -1.51 0.00 0.00 179.97 178.89 3k32 n ASP 109 N -5.42 3.83 -4.00 -3.80 8.00 -1.26 -4.78 116.55 109.11 3k32 n ASP 109 Ca -0.07 -3.12 -0.29 0.00 0.71 0.00 0.00 54.79 52.02 3k32 n ASP 109 Cb 0.34 -0.73 -0.17 0.00 -0.02 0.00 0.00 41.12 40.53 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 -0.73 2.51 0.08 -2.24 1.11 -1.14 -4.92 116.67 111.34 3k32 s ASP 110 Ca 0.43 -0.43 -0.19 0.00 0.18 0.00 0.00 52.55 52.54 3k32 s ASP 110 Cb 0.36 -1.08 -0.09 0.00 1.07 0.00 0.00 42.92 43.18 3k32 s ASP 110 CO 0.09 -0.05 1.56 -0.09 1.18 0.00 0.00 175.17 177.86 3k32 h ARG 111 N 7.93 0.37 -5.12 8.23 2.43 -1.87 -3.43 114.38 122.91 3k32 h ARG 111 Ca -0.35 -0.10 -0.38 0.00 -0.81 0.00 0.00 59.98 58.34 3k32 h ARG 111 Cb 1.14 -0.04 -0.22 0.00 -0.42 0.00 0.00 29.97 30.43 3k32 h ARG 111 CO 0.50 0.50 -0.77 0.14 -1.51 0.00 0.00 179.97 178.83 3k32 s VAL 112 N -5.20 0.95 0.69 0.20 -7.23 -1.26 -4.22 120.40 104.33 3k32 s VAL 112 Ca -0.14 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 3k32 s VAL 112 Cb 0.07 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 36.09 3k32 s VAL 112 CO 0.73 -0.22 1.08 -2.16 -0.31 0.00 0.00 175.10 174.22 3k32 s PRO 113 N -1.56 2.96 -0.30 4.82 0.04 -1.26 -5.04 135.00 134.65 3k32 s PRO 113 Ca -0.03 0.47 -0.18 0.00 0.04 0.00 0.00 61.00 61.31 3k32 s PRO 113 Cb -0.09 -2.04 0.20 0.00 0.04 0.00 0.00 34.50 32.61 3k32 s PRO 113 CO 0.02 -0.96 1.26 0.21 0.04 0.00 0.00 177.00 177.57 3k32 s LYS 114 N -5.32 0.05 0.33 4.56 2.20 -1.26 -4.75 119.74 115.55 3k32 s LYS 114 Ca 0.58 0.11 -0.23 0.00 -0.36 0.00 0.00 55.97 56.07 3k32 s LYS 114 Cb -0.11 0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 36.16 3k32 s LYS 114 CO 0.52 -0.01 0.90 -0.51 -0.36 0.00 0.00 175.35 175.88 3k32 s LEU 115 N 1.57 4.25 0.80 5.43 1.43 -1.26 -5.06 118.68 125.84 3k32 s LEU 115 Ca -0.04 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 3k32 s LEU 115 Cb -0.02 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 42.22 3k32 s LEU 115 CO -0.13 -0.12 1.10 -0.94 0.23 0.00 0.00 176.35 176.49 3k32 s SER 116 N -1.77 4.49 0.20 2.29 1.04 -1.26 -4.86 113.70 113.83 3k32 s SER 116 Ca 0.52 1.30 -0.11 0.00 0.48 0.00 0.00 55.95 58.14 3k32 s SER 116 Cb -0.16 -2.03 0.23 0.00 0.10 0.00 0.00 66.02 64.16 3k32 s SER 116 CO 0.21 -1.97 1.75 0.22 0.98 0.00 0.00 173.24 174.43 3k32 h TYR 117 N -1.09 0.37 -0.12 5.02 -0.00 -1.99 0.62 116.97 119.79 3k32 h TYR 117 Ca -0.47 0.03 0.04 0.00 -0.00 0.00 0.00 58.73 58.33 3k32 h TYR 117 Cb 1.27 -0.08 -0.06 0.00 -0.00 0.00 0.00 36.73 37.85 3k32 h TYR 117 CO 0.46 0.11 -0.40 0.77 -0.00 0.00 0.00 178.16 179.10 3k32 h SER 118 N 0.40 -1.25 -0.39 -2.11 0.02 -2.00 -0.83 113.55 107.40 3k32 h SER 118 Ca 0.28 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.40 3k32 h SER 118 Cb 0.32 0.51 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3k32 h SER 118 CO -0.28 -0.42 0.26 -0.33 -1.14 0.00 0.00 176.83 174.92 3k32 h GLU 119 N -0.48 0.49 0.12 3.45 5.08 -1.74 0.40 114.58 121.90 3k32 h GLU 119 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3k32 h GLU 119 Cb 0.62 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k32 h GLU 119 CO -0.38 0.33 -0.06 0.82 -1.00 0.00 0.00 179.01 178.71 3k32 h ILE 120 N 0.51 1.00 -0.31 3.13 2.04 -0.06 0.82 117.51 124.64 3k32 h ILE 120 Ca 0.14 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.51 3k32 h ILE 120 Cb -0.03 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3k32 h ILE 120 CO -0.03 0.13 0.10 1.56 0.00 0.00 0.00 178.15 179.91 3k32 h GLN 121 N -0.41 0.23 -0.09 2.37 4.20 -0.81 0.01 115.11 120.60 3k32 h GLN 121 Ca -0.02 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3k32 h GLN 121 Cb 0.34 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 3k32 h GLN 121 CO 0.03 0.15 -0.17 1.03 -0.67 0.00 0.00 178.83 179.20 3k32 h SER 122 N 0.24 -0.52 0.20 1.46 0.87 -0.83 -2.80 113.55 112.18 3k32 h SER 122 Ca 0.14 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3k32 h SER 122 Cb 0.11 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3k32 h SER 122 CO -0.15 -0.22 -0.44 0.25 -0.53 0.00 0.00 176.83 175.74 3k32 h LEU 123 N -0.23 -1.28 -1.05 2.23 6.46 -0.51 0.15 115.31 121.07 3k32 h LEU 123 Ca 0.08 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3k32 h LEU 123 Cb 0.35 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3k32 h LEU 123 CO -0.23 -0.50 0.00 -0.62 -0.62 0.00 0.00 178.44 176.47 3k32 n GLU 124 N -4.98 0.00 0.00 1.25 1.02 -0.04 -1.62 120.64 116.27 3k32 n GLU 124 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3k32 n GLU 124 Cb 0.36 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.43 0.00 -0.03 3.49 1.74 0.51 -0.72 116.66 122.08 3k32 n ARG 126 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 3k32 n ARG 126 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 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 1.51 -3.78 5.56 4.01 -0.64 -5.00 118.16 119.82 3k32 n LYS 127 Ca 0.00 -1.60 -0.26 0.00 -0.51 0.00 0.00 58.31 55.94 3k32 n LYS 127 Cb 0.00 -1.34 0.02 0.00 -0.51 0.00 0.00 35.03 33.20 3k32 n LYS 127 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3k32 n ASN 128 N 0.97 -2.20 -4.36 4.39 5.15 0.10 -4.95 115.26 114.37 3k32 n ASN 128 Ca 0.11 -0.95 -0.18 0.00 -0.60 0.00 0.00 54.58 52.96 3k32 n ASN 128 Cb 0.44 -3.50 -0.10 0.00 -0.53 0.00 0.00 39.78 36.08 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 -3.72 1.24 -0.13 -1.44 -4.36 -1.00 -4.95 121.20 106.84 3k32 s ILE 129 Ca 0.15 -2.06 -0.15 0.00 -0.26 0.00 0.00 60.65 58.33 3k32 s ILE 129 Cb -0.05 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.25 3k32 s ILE 129 CO 0.85 -0.33 0.35 -1.10 0.24 0.00 0.00 174.94 174.95 3k32 s GLN 130 N -3.81 4.20 -0.23 0.37 -0.21 -0.23 -4.52 119.66 115.23 3k32 s GLN 130 Ca 0.28 0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.87 3k32 s GLN 130 Cb 0.05 -3.39 0.02 0.00 1.00 0.00 0.00 33.01 30.68 3k32 s GLN 130 CO 0.09 0.30 -0.09 -0.47 -2.12 0.00 0.00 175.29 173.01 3k32 s TYR 131 N 0.24 2.97 -0.13 0.91 5.04 -1.26 -0.24 117.35 124.88 3k32 s TYR 131 Ca 0.20 -1.41 0.02 0.00 -2.44 0.00 0.00 57.07 53.44 3k32 s TYR 131 Cb -0.14 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.13 3k32 s TYR 131 CO 0.07 -0.70 -0.19 0.42 -1.34 0.00 0.00 175.55 173.81 3k32 s ILE 132 N 1.36 2.40 -0.59 3.14 1.01 0.12 -4.99 121.20 123.66 3k32 s ILE 132 Ca 0.03 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3k32 s ILE 132 Cb -0.15 -1.98 0.17 0.00 0.01 0.00 0.00 42.46 40.51 3k32 s ILE 132 CO -0.06 0.54 0.43 0.42 0.00 0.00 0.00 174.94 176.26 3k32 s THR 133 N 0.63 1.98 0.31 2.92 -4.23 -1.26 -3.24 115.64 112.75 3k32 s THR 133 Ca -0.10 -3.64 0.06 0.00 -1.18 0.00 0.00 61.69 56.84 3k32 s THR 133 Cb -0.16 -2.32 0.34 0.00 1.34 0.00 0.00 72.50 71.70 3k32 s THR 133 CO 0.03 -1.07 1.63 -0.65 -0.54 0.00 0.00 174.62 174.01 3k32 h PRO 134 N 5.57 0.17 -5.78 3.99 0.11 -1.85 -3.42 132.00 130.79 3k32 h PRO 134 Ca 0.17 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.59 3k32 h PRO 134 Cb 0.82 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.80 3k32 h PRO 134 CO 0.59 0.11 2.07 -0.51 -0.21 0.00 0.00 178.00 180.05 3k32 s LEU 135 N -10.65 3.92 0.00 2.35 1.43 -1.25 -4.69 118.68 109.79 3k32 s LEU 135 Ca -0.11 -2.41 0.00 0.00 -1.03 0.00 0.00 54.13 50.58 3k32 s LEU 135 Cb 0.28 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3k32 s LEU 135 CO 0.78 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.80 3k32 n GLY 137 N 5.42 0.00 3.26 -3.19 0.00 -1.26 -3.03 105.19 106.39 3k32 n GLY 137 Ca 0.46 0.00 -0.35 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 3.06 0.66 1.61 0.40 -1.26 -5.00 117.98 117.44 3k32 s PHE 138 Ca 0.00 -1.27 -0.15 0.00 -0.60 0.00 0.00 56.93 54.91 3k32 s PHE 138 Cb 0.00 -2.12 -0.00 0.00 0.51 0.00 0.00 43.02 41.41 3k32 s PHE 138 CO 0.00 -0.65 1.12 0.20 0.70 0.00 0.00 175.22 176.59 3k32 s GLY 139 N 1.40 2.22 0.30 4.36 0.00 -1.26 -3.89 107.32 110.45 3k32 s GLY 139 Ca 0.02 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.38 3k32 s GLY 139 CO -0.03 0.97 1.48 2.98 0.00 0.00 0.00 173.10 178.50 3k32 n TYR 140 N -2.35 0.62 0.07 1.90 4.19 -1.26 -0.86 117.16 119.47 3k32 n TYR 140 Ca 0.11 1.14 -0.07 0.00 3.31 0.00 0.00 57.90 62.39 3k32 n TYR 140 Cb 0.52 -1.22 0.08 0.00 0.49 0.00 0.00 39.34 39.21 3k32 n TYR 140 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 3k32 h LYS 141 N 0.00 0.30 0.04 2.98 1.57 -1.99 -1.29 116.57 118.17 3k32 h LYS 141 Ca 0.58 -0.22 -0.23 0.00 -1.87 0.00 0.00 60.65 58.91 3k32 h LYS 141 Cb 1.22 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3k32 h LYS 141 CO -0.88 0.84 -1.09 0.00 -0.57 0.00 0.00 179.45 177.75 3k32 h THR 142 N 0.22 1.63 -0.35 -0.16 1.03 -1.47 -2.91 112.91 110.90 3k32 h THR 142 Ca -0.01 -3.30 -0.07 0.00 -0.01 0.00 0.00 66.41 63.02 3k32 h THR 142 Cb 1.18 2.87 -0.02 0.00 -1.07 0.00 0.00 68.15 71.11 3k32 h THR 142 CO 0.10 0.94 -0.09 -0.07 -0.01 0.00 0.00 175.52 176.40 3k32 h LEU 143 N 0.02 0.56 -0.92 0.00 4.07 -0.94 -1.21 115.31 116.89 3k32 h LEU 143 Ca -0.06 -0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.65 3k32 h LEU 143 Cb 1.84 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 43.42 3k32 h LEU 143 CO 0.15 0.69 -0.41 -0.09 -1.08 0.00 0.00 178.44 177.71 3k32 h ARG 144 N 0.54 0.27 0.02 1.13 2.43 -1.06 -1.82 114.38 115.89 3k32 h ARG 144 Ca 0.10 -0.13 -0.27 0.00 -0.81 0.00 0.00 59.98 58.88 3k32 h ARG 144 Cb 0.48 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3k32 h ARG 144 CO 0.03 0.64 -1.05 1.25 -1.51 0.00 0.00 179.97 179.32 3k32 h HIS 145 N 0.22 1.02 -0.46 2.20 2.76 -1.29 -3.18 115.15 116.43 3k32 h HIS 145 Ca 0.02 -0.57 -0.09 0.00 -2.20 0.00 0.00 60.37 57.53 3k32 h HIS 145 Cb 0.82 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 3k32 h HIS 145 CO 0.02 1.41 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.89 3k32 h LEU 146 N 0.34 0.81 -1.05 0.26 3.38 -1.12 -2.79 115.31 115.14 3k32 h LEU 146 Ca -0.14 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 3k32 h LEU 146 Cb 1.71 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 3k32 h LEU 146 CO 0.21 0.93 0.13 0.00 0.09 0.00 0.00 178.44 179.80 3k32 h ALA 147 N 1.14 1.24 -0.00 1.53 0.00 -1.38 -2.30 119.26 119.49 3k32 h ALA 147 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k32 h ALA 147 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k32 h ALA 147 CO 0.04 0.53 -0.20 -1.13 0.00 0.00 0.00 179.25 178.49 3k32 n SER 148 N -4.28 0.27 0.02 0.00 3.41 -1.14 -0.99 113.62 110.91 3k32 n SER 148 Ca 0.04 0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.48 3k32 n SER 148 Cb 0.22 -0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 3k32 n SER 148 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3k32 h GLU 149 N 0.12 0.21 0.13 4.33 4.39 -1.17 -3.40 114.58 119.19 3k32 h GLU 149 Ca 0.00 -0.36 -0.35 0.00 0.34 0.00 0.00 59.36 58.99 3k32 h GLU 149 Cb 0.47 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3k32 h GLU 149 CO 0.00 1.03 -1.91 0.74 -1.16 0.00 0.00 179.01 177.71 3k32 h PHE 150 N 0.06 0.49 -2.89 4.33 0.04 -1.38 -3.42 116.94 114.17 3k32 h PHE 150 Ca -0.34 -0.36 -0.61 0.00 2.80 0.00 0.00 57.97 59.46 3k32 h PHE 150 Cb 2.03 -0.02 -0.12 0.00 2.20 0.00 0.00 35.95 40.04 3k32 h PHE 150 CO 0.06 1.75 -0.67 -0.06 -0.60 0.00 0.00 178.31 178.79 3k32 s PHE 151 N -2.55 2.79 -0.25 -0.55 0.08 -0.17 -0.43 117.98 116.90 3k32 s PHE 151 Ca -0.22 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 3k32 s PHE 151 Cb 0.06 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.12 3k32 s PHE 151 CO 0.77 0.52 0.23 0.42 -0.10 0.00 0.00 175.22 177.06 3k32 s ILE 152 N -1.74 5.30 -0.11 0.64 1.01 -0.22 -4.58 121.20 121.51 3k32 s ILE 152 Ca 0.27 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.26 3k32 s ILE 152 Cb -0.09 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3k32 s ILE 152 CO 0.18 0.28 -0.23 -0.76 0.00 0.00 0.00 174.94 174.41 3k32 s LEU 153 N 1.39 2.08 -0.33 2.97 1.43 -1.26 -0.85 118.68 124.11 3k32 s LEU 153 Ca 0.10 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 3k32 s LEU 153 Cb -0.15 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.72 3k32 s LEU 153 CO 0.07 0.14 0.09 -0.70 0.23 0.00 0.00 176.35 176.18 3k32 s GLU 154 N 0.42 2.55 -0.13 1.70 2.12 -0.05 -4.96 118.70 120.35 3k32 s GLU 154 Ca -0.17 -1.23 -0.24 0.00 0.36 0.00 0.00 54.97 53.69 3k32 s GLU 154 Cb -0.18 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 3k32 s GLU 154 CO 0.07 -0.68 0.75 -2.00 -0.54 0.00 0.00 175.26 172.87 3k32 s GLU 155 N 1.36 4.34 0.00 4.30 2.12 -1.26 -1.80 118.70 127.76 3k32 s GLU 155 Ca -0.02 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.22 3k32 s GLU 155 Cb -0.20 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.67 3k32 s GLU 155 CO 0.02 -0.16 0.00 -0.89 -0.54 0.00 0.00 175.26 173.68 3k32 n ILE 156 N 4.36 0.00 -3.64 -3.70 2.08 0.20 -5.00 119.36 113.67 3k32 n ILE 156 Ca 0.01 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.30 3k32 n ILE 156 Cb 0.50 -0.15 -0.03 0.00 -0.75 0.00 0.00 39.64 39.20 3k32 n ILE 156 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 3k32 s SER 163 N -0.17 -0.04 -0.24 4.38 0.01 -1.26 -2.42 113.70 113.96 3k32 s SER 163 Ca 0.00 0.02 0.13 0.00 1.31 0.00 0.00 55.95 57.41 3k32 s SER 163 Cb 0.00 0.04 0.52 0.00 0.21 0.00 0.00 66.02 66.79 3k32 s SER 163 CO 0.00 -0.05 1.46 -1.20 0.41 0.00 0.00 173.24 173.86 3k32 n SER 164 N 0.24 3.24 -3.38 2.44 7.64 -1.19 -4.65 113.62 117.96 3k32 n SER 164 Ca 0.02 -3.38 -0.23 0.00 1.01 0.00 0.00 58.87 56.29 3k32 n SER 164 Cb 0.58 -0.60 0.18 0.00 -1.01 0.00 0.00 64.21 63.36 3k32 n SER 164 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3k32 n ASP 165 N -0.83 -1.10 0.14 6.43 8.00 -1.26 -4.59 116.55 123.35 3k32 n ASP 165 Ca 0.28 -1.16 0.02 0.00 0.71 0.00 0.00 54.79 54.65 3k32 n ASP 165 Cb 0.99 -0.78 0.07 0.00 -0.02 0.00 0.00 41.12 41.37 3k32 n ASP 165 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3k32 h TYR 166 N -2.12 0.00 0.00 1.24 0.05 -1.93 -3.37 116.97 110.84 3k32 h TYR 166 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 3k32 h TYR 166 Cb 0.95 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.69 3k32 h TYR 166 CO 0.00 0.52 0.00 -0.85 -1.05 0.00 0.00 178.16 176.78 3k32 n GLU 167 N -3.28 0.16 -0.07 4.88 0.28 -1.26 -2.33 120.64 119.03 3k32 n GLU 167 Ca 0.01 0.29 -0.15 0.00 -0.16 0.00 0.00 57.16 57.16 3k32 n GLU 167 Cb 0.71 -1.75 -0.05 0.00 1.43 0.00 0.00 31.44 31.78 3k32 n GLU 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k32 h ALA 168 N 2.45 0.38 0.03 -1.84 0.00 -1.88 -0.91 119.26 117.49 3k32 h ALA 168 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 3k32 h ALA 168 Cb 0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3k32 h ALA 168 CO 0.00 0.55 -0.99 0.93 0.00 0.00 0.00 179.25 179.74 3k32 h GLU 169 N 0.49 0.11 -0.56 0.00 5.08 -1.73 -2.14 114.58 115.82 3k32 h GLU 169 Ca 0.01 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3k32 h GLU 169 Cb 1.09 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3k32 h GLU 169 CO 0.11 1.01 -0.07 0.82 -1.00 0.00 0.00 179.01 179.88 3k32 h ILE 170 N 0.04 1.27 -0.14 3.13 2.04 -1.56 -2.28 117.51 120.02 3k32 h ILE 170 Ca -0.05 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.61 3k32 h ILE 170 Cb 1.70 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 3k32 h ILE 170 CO 0.14 0.44 0.03 0.03 0.00 0.00 0.00 178.15 178.79 3k32 h ARG 171 N 0.92 0.08 -0.70 2.37 3.08 -1.12 -2.30 114.38 116.71 3k32 h ARG 171 Ca 0.15 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3k32 h ARG 171 Cb 0.64 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 3k32 h ARG 171 CO 0.04 0.05 0.44 1.25 -1.07 0.00 0.00 179.97 180.68 3k32 h HIS 172 N 0.08 0.82 -0.54 3.04 2.76 -1.27 -1.44 115.15 118.60 3k32 h HIS 172 Ca 0.06 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 3k32 h HIS 172 Cb 0.05 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 3k32 h HIS 172 CO -0.12 0.46 0.34 0.82 -1.30 0.00 0.00 177.93 178.13 3k32 h ILE 173 N 0.85 1.10 -0.96 6.26 2.04 -1.22 -1.36 117.51 124.22 3k32 h ILE 173 Ca 0.29 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3k32 h ILE 173 Cb 0.03 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 3k32 h ILE 173 CO -0.11 0.13 0.63 -0.07 0.00 0.00 0.00 178.15 178.72 3k32 h LEU 174 N 0.69 1.06 0.04 1.44 3.38 -0.82 0.37 115.31 121.46 3k32 h LEU 174 Ca 0.21 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3k32 h LEU 174 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3k32 h LEU 174 CO -0.07 0.74 -0.21 0.11 0.09 0.00 0.00 178.44 179.10 3k32 h LYS 175 N 1.24 -0.34 -0.53 1.13 1.57 -0.64 0.07 116.57 119.07 3k32 h LYS 175 Ca 0.37 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.20 3k32 h LYS 175 Cb -0.04 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3k32 h LYS 175 CO -0.11 -0.23 0.35 0.93 -0.57 0.00 0.00 179.45 179.82 3k32 h GLU 176 N -0.35 0.64 0.00 3.15 5.08 -0.54 0.19 114.58 122.75 3k32 h GLU 176 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3k32 h GLU 176 Cb 0.41 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3k32 h GLU 176 CO -0.16 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 3k32 h ARG 177 N 0.66 0.00 0.00 2.33 3.08 -0.53 -3.47 114.38 116.45 3k32 h ARG 177 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3k32 h ARG 177 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3k32 h ARG 177 CO -0.05 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.26 3k32 n GLY 178 N 0.42 0.70 4.00 0.04 0.00 0.68 -5.08 105.19 105.95 3k32 n GLY 178 Ca 0.03 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.38 2.60 -0.44 1.61 0.41 -0.08 -5.03 118.70 115.39 3k32 s GLU 179 Ca 0.00 -1.11 -0.12 0.00 -0.41 0.00 0.00 54.97 53.34 3k32 s GLU 179 Cb 0.00 -2.62 0.08 0.00 -1.78 0.00 0.00 34.13 29.80 3k32 s GLU 179 CO 0.00 -0.56 0.31 -1.54 -0.49 0.00 0.00 175.26 172.98 3k32 s SER 180 N -4.43 5.83 0.36 -0.19 1.04 -1.26 -4.20 113.70 110.84 3k32 s SER 180 Ca 0.57 -1.44 0.14 0.00 0.48 0.00 0.00 55.95 55.70 3k32 s SER 180 Cb -0.09 -2.06 0.98 0.00 0.10 0.00 0.00 66.02 64.95 3k32 s SER 180 CO 0.36 -0.58 1.77 -0.65 0.98 0.00 0.00 173.24 175.12 3k32 h PRO 181 N 8.54 0.50 -1.47 4.02 0.11 -1.87 -1.68 132.00 140.14 3k32 h PRO 181 Ca -0.25 -0.03 0.43 0.00 0.11 0.00 0.00 66.00 66.26 3k32 h PRO 181 Cb 1.09 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.01 3k32 h PRO 181 CO 0.80 0.33 1.04 1.49 -0.21 0.00 0.00 178.00 181.45 3k32 h GLU 182 N 0.51 0.05 0.00 1.05 4.57 -1.91 0.75 114.58 119.59 3k32 h GLU 182 Ca 0.59 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 3k32 h GLU 182 Cb 1.30 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3k32 h GLU 182 CO -0.35 0.03 -0.07 0.87 -1.18 0.00 0.00 179.01 178.32 3k32 h LYS 183 N 0.05 0.00 0.00 1.92 1.57 -1.73 -3.18 116.57 115.20 3k32 h LYS 183 Ca 0.74 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.52 3k32 h LYS 183 Cb 2.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.09 3k32 h LYS 183 CO -0.11 0.00 -0.99 0.66 -0.57 0.00 0.00 179.45 178.44 3k32 n TYR 184 N -2.57 0.00 -3.19 -1.35 0.53 0.22 -4.84 117.16 105.96 3k32 n TYR 184 Ca 0.05 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.67 3k32 n TYR 184 Cb 0.47 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.72 3k32 n TYR 184 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3k32 n PHE 185 N -2.55 2.94 -1.69 -0.72 3.01 0.11 -4.81 117.46 113.76 3k32 n PHE 185 Ca 0.00 -3.99 -0.42 0.00 1.01 0.00 0.00 57.45 54.05 3k32 n PHE 185 Cb 0.50 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 3k32 n PHE 185 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3k32 n PRO 186 N 0.45 1.94 -1.78 -1.08 -0.02 -1.20 -4.52 135.00 128.78 3k32 n PRO 186 Ca 0.29 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 62.04 3k32 n PRO 186 Cb 0.44 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 3k32 n PRO 186 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3k32 s GLU 187 N -2.06 4.12 0.09 -0.52 2.02 -1.26 -5.00 118.70 116.08 3k32 s GLU 187 Ca 0.59 2.58 -0.11 0.00 0.02 0.00 0.00 54.97 58.05 3k32 s GLU 187 Cb -0.54 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 30.69 3k32 s GLU 187 CO 0.59 -0.61 0.24 -3.38 0.02 0.00 0.00 175.26 172.13 3k32 s HIS 188 N -0.30 0.05 0.45 1.61 -3.43 -1.26 -5.15 115.29 107.25 3k32 s HIS 188 Ca 0.60 -0.41 -0.23 0.00 -0.80 0.00 0.00 55.06 54.22 3k32 s HIS 188 Cb -0.47 0.02 -0.08 0.00 -1.43 0.00 0.00 32.58 30.62 3k32 s HIS 188 CO 0.52 -0.57 1.16 -1.59 -2.00 0.00 0.00 174.74 172.27 3k32 s LYS 189 N -3.65 3.83 0.42 -0.38 -2.85 -1.26 -5.05 119.74 110.80 3k32 s LYS 189 Ca 0.03 1.79 0.04 0.00 -1.00 0.00 0.00 55.97 56.83 3k32 s LYS 189 Cb 0.03 -2.47 -0.05 0.00 -2.06 0.00 0.00 37.83 33.29 3k32 s LYS 189 CO -0.10 -0.50 0.03 -1.14 0.10 0.00 0.00 175.35 173.74 3k32 s GLN 190 N -2.61 1.97 -0.16 1.78 0.74 -1.02 -4.99 119.66 115.38 3k32 s GLN 190 Ca 0.62 -2.17 -0.02 0.00 0.05 0.00 0.00 55.36 53.84 3k32 s GLN 190 Cb -0.29 -1.34 0.05 0.00 1.10 0.00 0.00 33.01 32.53 3k32 s GLN 190 CO 0.35 -0.22 -0.00 0.99 -0.55 0.00 0.00 175.29 175.86 3k32 s THR 191 N -2.93 0.70 0.04 -0.34 2.01 -1.26 -0.62 115.64 113.24 3k32 s THR 191 Ca 0.25 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 3k32 s THR 191 Cb 0.06 -1.02 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 3k32 s THR 191 CO 0.13 0.00 0.60 -0.60 -0.69 0.00 0.00 174.62 174.06 3k32 s ARG 192 N 1.80 4.28 -0.23 4.92 3.52 -0.74 -4.52 118.95 127.98 3k32 s ARG 192 Ca 0.01 0.77 -0.26 0.00 -0.13 0.00 0.00 55.73 56.12 3k32 s ARG 192 Cb -0.15 -3.29 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3k32 s ARG 192 CO -0.07 0.51 0.87 0.08 -0.81 0.00 0.00 175.30 175.88 3k32 s VAL 193 N -0.68 4.81 -0.04 7.11 1.01 -1.26 -0.87 120.40 130.48 3k32 s VAL 193 Ca 0.30 1.67 0.06 0.00 0.00 0.00 0.00 61.98 64.01 3k32 s VAL 193 Cb -0.19 -4.16 0.09 0.00 0.00 0.00 0.00 36.38 32.12 3k32 s VAL 193 CO 0.19 -0.08 1.04 1.33 0.00 0.00 0.00 175.10 177.58 3k32 n VAL 194 N 5.18 1.25 0.00 2.92 0.24 -0.03 -4.78 118.33 123.10 3k32 n VAL 194 Ca 0.07 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 3k32 n VAL 194 Cb 0.47 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 3k32 n VAL 194 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k32 n GLY 195 N -0.78 -0.26 3.15 7.63 0.00 -1.21 -4.94 105.19 108.79 3k32 n GLY 195 Ca 0.05 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 2.70 0.40 0.99 1.02 -1.26 -1.06 118.68 121.47 3k32 s LEU 196 Ca 0.00 -0.80 0.28 0.00 0.02 0.00 0.00 54.13 53.63 3k32 s LEU 196 Cb 0.00 -1.57 1.03 0.00 0.02 0.00 0.00 46.19 45.67 3k32 s LEU 196 CO 0.00 -0.07 1.82 0.11 0.02 0.00 0.00 176.35 178.24 3k32 h LYS 197 N 7.95 0.00 -4.67 1.70 1.57 -1.00 -3.46 116.57 118.65 3k32 h LYS 197 Ca -0.38 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.13 3k32 h LYS 197 Cb 1.12 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.28 3k32 h LYS 197 CO 0.59 0.00 -0.62 0.21 -0.57 0.00 0.00 179.45 179.06 3k32 s LYS 198 N -3.42 1.26 0.44 3.15 2.20 -1.22 -5.01 119.74 117.13 3k32 s LYS 198 Ca 0.04 -1.67 -0.01 0.00 -0.36 0.00 0.00 55.97 53.97 3k32 s LYS 198 Cb 0.09 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 3k32 s LYS 198 CO 0.52 -0.36 0.67 -1.83 -0.36 0.00 0.00 175.35 173.99 3k32 s GLU 199 N -4.12 3.24 0.00 4.03 1.03 -1.26 -5.07 118.70 116.55 3k32 s GLU 199 Ca 0.39 -0.32 0.28 0.00 0.03 0.00 0.00 54.97 55.35 3k32 s GLU 199 Cb 0.07 -2.54 1.12 0.00 -0.80 0.00 0.00 34.13 31.98 3k32 s GLU 199 CO 0.13 -0.17 1.79 -0.89 -1.33 0.00 0.00 175.26 174.78